2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide

C240H309N33O29 — CID 158376289

IUPAC2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESCC(=O)N1CC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c(C)cn2)C1.CC(C)N(C)CCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.CCCCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.CCN(C)CCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.CN(C)CCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OCCN2CCC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OCCN2CCCC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OCCN2CCOCC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(Cc2ccccn2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(Cc2ccn[nH]2)c1
InChIInChI=1S/C25H32N4O3.C25H33N3O4.C25H33N3O3.C25H35N3O3.C24H26N4O2.C24H31N3O3.C24H33N3O3.C23H31N3O3.C23H30N2O3.C22H25N5O2/c1-17-11-26-22(9-19-13-29(14-19)18(2)30)10-24(17)25(32)27-12-23(31)16-28-8-7-20-5-3-4-6-21(20)15-28;29-23(19-28-10-9-20-3-1-2-4-22(20)18-28)17-26-25(30)21-5-7-24(8-6-21)32-16-13-27-11-14-31-15-12-27;29-23(19-28-14-11-20-5-1-2-6-22(20)18-28)17-26-25(30)21-7-9-24(10-8-21)31-16-15-27-12-3-4-13-27;1-19(2)27(3)14-15-31-24-10-8-21(9-11-24)25(30)26-16-23(29)18-28-13-12-20-6-4-5-7-22(20)17-28;29-23(17-28-12-9-18-5-1-2-6-20(18)16-28)15-27-24(30)19-8-11-26-22(13-19)14-21-7-3-4-10-25-21;28-22(18-27-13-10-19-4-1-2-5-21(19)17-27)16-25-24(29)20-6-8-23(9-7-20)30-15-14-26-11-3-12-26;1-3-26(2)14-15-30-23-10-8-20(9-11-23)24(29)25-16-22(28)18-27-13-12-19-6-4-5-7-21(19)17-27;1-25(2)13-14-29-22-9-7-19(8-10-22)23(28)24-15-21(27)17-26-12-11-18-5-3-4-6-20(18)16-26;1-2-3-14-28-22-10-8-19(9-11-22)23(27)24-15-21(26)17-25-13-12-18-6-4-5-7-20(18)16-25;28-21(15-27-10-7-16-3-1-2-4-18(16)14-27)13-24-22(29)17-5-8-23-20(11-17)12-19-6-9-25-26-19/h3-6,10-11,19,23,31H,7-9,12-16H2,1-2H3,(H,27,32);1-8,23,29H,9-19H2,(H,26,30);1-2,5-10,23,29H,3-4,11-19H2,(H,26,30);4-11,19,23,29H,12-18H2,1-3H3,(H,26,30);1-8,10-11,13,23,29H,9,12,14-17H2,(H,27,30);1-2,4-9,22,28H,3,10-18H2,(H,25,29);4-11,22,28H,3,12-18H2,1-2H3,(H,25,29);3-10,21,27H,11-17H2,1-2H3,(H,24,28);4-11,21,26H,2-3,12-17H2,1H3,(H,24,27);1-6,8-9,11,21,28H,7,10,12-15H2,(H,24,29)(H,25,26)/t5*23-;2*22-;3*21-/m0000000000/s1
InChIKeyGVFVZWIZYQDQSA-MMQLQPJNSA-N
MW4120.31 g/mol
LogP20.61
Rot. Bonds86

About 2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide

2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide (PubChem CID 158376289) has the molecular formula C240H309N33O29 and a molecular weight of 4120.31 g/mol. Its IUPAC name is 2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
PubChem CID158376289
Molecular FormulaC240H309N33O29
Molecular Weight4120.31 g/mol
Exact Mass4117.37
IUPAC Name2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESCC(=O)N1CC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c(C)cn2)C1.CC(C)N(C)CCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.CCCCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.CCN(C)CCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.CN(C)CCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OCCN2CCC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OCCN2CCCC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OCCN2CCOCC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(Cc2ccccn2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(Cc2ccn[nH]2)c1
InChIInChI=1S/C25H32N4O3.C25H33N3O4.C25H33N3O3.C25H35N3O3.C24H26N4O2.C24H31N3O3.C24H33N3O3.C23H31N3O3.C23H30N2O3.C22H25N5O2/c1-17-11-26-22(9-19-13-29(14-19)18(2)30)10-24(17)25(32)27-12-23(31)16-28-8-7-20-5-3-4-6-21(20)15-28;29-23(19-28-10-9-20-3-1-2-4-22(20)18-28)17-26-25(30)21-5-7-24(8-6-21)32-16-13-27-11-14-31-15-12-27;29-23(19-28-14-11-20-5-1-2-6-22(20)18-28)17-26-25(30)21-7-9-24(10-8-21)31-16-15-27-12-3-4-13-27;1-19(2)27(3)14-15-31-24-10-8-21(9-11-24)25(30)26-16-23(29)18-28-13-12-20-6-4-5-7-22(20)17-28;29-23(17-28-12-9-18-5-1-2-6-20(18)16-28)15-27-24(30)19-8-11-26-22(13-19)14-21-7-3-4-10-25-21;28-22(18-27-13-10-19-4-1-2-5-21(19)17-27)16-25-24(29)20-6-8-23(9-7-20)30-15-14-26-11-3-12-26;1-3-26(2)14-15-30-23-10-8-20(9-11-23)24(29)25-16-22(28)18-27-13-12-19-6-4-5-7-21(19)17-27;1-25(2)13-14-29-22-9-7-19(8-10-22)23(28)24-15-21(27)17-26-12-11-18-5-3-4-6-20(18)16-26;1-2-3-14-28-22-10-8-19(9-11-22)23(27)24-15-21(26)17-25-13-12-18-6-4-5-7-20(18)16-25;28-21(15-27-10-7-16-3-1-2-4-18(16)14-27)13-24-22(29)17-5-8-23-20(11-17)12-19-6-9-25-26-19/h3-6,10-11,19,23,31H,7-9,12-16H2,1-2H3,(H,27,32);1-8,23,29H,9-19H2,(H,26,30);1-2,5-10,23,29H,3-4,11-19H2,(H,26,30);4-11,19,23,29H,12-18H2,1-3H3,(H,26,30);1-8,10-11,13,23,29H,9,12,14-17H2,(H,27,30);1-2,4-9,22,28H,3,10-18H2,(H,25,29);4-11,22,28H,3,12-18H2,1-2H3,(H,25,29);3-10,21,27H,11-17H2,1-2H3,(H,24,28);4-11,21,26H,2-3,12-17H2,1H3,(H,24,27);1-6,8-9,11,21,28H,7,10,12-15H2,(H,24,29)(H,25,26)/t5*23-;2*22-;3*21-/m0000000000/s1
InChIKeyGVFVZWIZYQDQSA-MMQLQPJNSA-N
XLogP20.61
TPSA719.53 Ų
H-Bond Donors21
H-Bond Acceptors50
Rotatable Bonds86
Heavy Atoms302
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004120.31
LogP ≤ 520.61
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1050

Analyze 2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The IUPAC name of 2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide (CID 158376289) is 2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide.
What is the SMILES notation for 2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The canonical SMILES for 2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide is CC(=O)N1CC(Cc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c(C)cn2)C1.CC(C)N(C)CCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.CCCCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.CCN(C)CCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.CN(C)CCOc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OCCN2CCC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OCCN2CCCC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OCCN2CCOCC2)cc1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(Cc2ccccn2)c1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(Cc2ccn[nH]2)c1.
What is the InChIKey of 2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The InChIKey is GVFVZWIZYQDQSA-MMQLQPJNSA-N. The full InChI is InChI=1S/C25H32N4O3.C25H33N3O4.C25H33N3O3.C25H35N3O3.C24H26N4O2.C24H31N3O3.C24H33N3O3.C23H31N3O3.C23H30N2O3.C22H25N5O2/c1-17-11-26-22(9-19-13-29(14-19)18(2)30)10-24(17)25(32)27-12-23(31)16-28-8-7-20-5-3-4-6-21(20)15-28;29-23(19-28-10-9-20-3-1-2-4-22(20)18-28)17-26-25(30)21-5-7-24(8-6-21)32-16-13-27-11-14-31-15-12-27;29-23(19-28-14-11-20-5-1-2-6-22(20)18-28)17-26-25(30)21-7-9-24(10-8-21)31-16-15-27-12-3-4-13-27;1-19(2)27(3)14-15-31-24-10-8-21(9-11-24)25(30)26-16-23(29)18-28-13-12-20-6-4-5-7-22(20)17-28;29-23(17-28-12-9-18-5-1-2-6-20(18)16-28)15-27-24(30)19-8-11-26-22(13-19)14-21-7-3-4-10-25-21;28-22(18-27-13-10-19-4-1-2-5-21(19)17-27)16-25-24(29)20-6-8-23(9-7-20)30-15-14-26-11-3-12-26;1-3-26(2)14-15-30-23-10-8-20(9-11-23)24(29)25-16-22(28)18-27-13-12-19-6-4-5-7-21(19)17-27;1-25(2)13-14-29-22-9-7-19(8-10-22)23(28)24-15-21(27)17-26-12-11-18-5-3-4-6-20(18)16-26;1-2-3-14-28-22-10-8-19(9-11-22)23(27)24-15-21(26)17-25-13-12-18-6-4-5-7-20(18)16-25;28-21(15-27-10-7-16-3-1-2-4-18(16)14-27)13-24-22(29)17-5-8-23-20(11-17)12-19-6-9-25-26-19/h3-6,10-11,19,23,31H,7-9,12-16H2,1-2H3,(H,27,32);1-8,23,29H,9-19H2,(H,26,30);1-2,5-10,23,29H,3-4,11-19H2,(H,26,30);4-11,19,23,29H,12-18H2,1-3H3,(H,26,30);1-8,10-11,13,23,29H,9,12,14-17H2,(H,27,30);1-2,4-9,22,28H,3,10-18H2,(H,25,29);4-11,22,28H,3,12-18H2,1-2H3,(H,25,29);3-10,21,27H,11-17H2,1-2H3,(H,24,28);4-11,21,26H,2-3,12-17H2,1H3,(H,24,27);1-6,8-9,11,21,28H,7,10,12-15H2,(H,24,29)(H,25,26)/t5*23-;2*22-;3*21-/m0000000000/s1.
What are the key properties of 2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide has a molecular weight of 4120.31 g/mol, XLogP of 20.61, 86 rotatable bonds, 21 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methylpyridine-4-carboxamide;4-[2-(azetidin-1-yl)ethoxy]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;4-butoxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-(dimethylamino)ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[ethyl(methyl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[2-[methyl(propan-2-yl)amino]ethoxy]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-morpholin-4-ylethoxy)benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethyl)pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide is sourced from PubChem (CID 158376289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).