2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide

C249H280F5N35O30 — CID 167625439

IUPAC2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide
SMILESCN(C)CCNC(=O)/C=C\C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(COc5ccccc5)cc4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(COc5ccccc5)cc4)cn3)CC2)cc1.CN(C)c1ccc(CNC(=O)/C=C\C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.CN1CCC(CNC(=O)/C=C\C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)CC1.Cc1ccc(N)c(C(=O)Nc2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)c1.Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3NC(=O)C3CC3)CC2)nc1.Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3NC(=O)N3CCCCC3)CC2)nc1.O=C=O.O=C=O
InChIInChI=1S/2C41H41FN4O4.C33H34FN5O3.C31H37N5O3.C29H39N5O3.C26H35N5O3.C24H29FN4O3.C22H24FN3O3.2CO2/c1-45(2)34-16-10-29(11-17-34)20-23-43-40(47)38-26-33(42)15-18-37(38)41(48)46-24-21-36(22-25-46)50-39-19-14-32(27-44-39)31-12-8-30(9-13-31)28-49-35-6-4-3-5-7-35;1-45(2)34-16-10-29(11-17-34)20-23-43-40(47)37-18-15-33(42)26-38(37)41(48)46-24-21-36(22-25-46)50-39-19-14-32(27-44-39)31-12-8-30(9-13-31)28-49-35-6-4-3-5-7-35;1-21-4-11-29(35)27(18-21)32(40)37-30-12-8-24(34)19-28(30)33(41)39-16-14-26(15-17-39)42-31-13-7-23(20-36-31)22-5-9-25(10-6-22)38(2)3;1-34(2)26-10-5-23(6-11-26)21-32-29(37)14-16-31(38)36-19-17-28(18-20-36)39-30-15-9-25(22-33-30)24-7-12-27(13-8-24)35(3)4;1-32(2)25-7-4-23(5-8-25)24-6-10-28(31-21-24)37-26-14-18-34(19-15-26)29(36)11-9-27(35)30-20-22-12-16-33(3)17-13-22;1-29(2)18-15-27-24(32)10-12-26(33)31-16-13-23(14-17-31)34-25-11-7-21(19-28-25)20-5-8-22(9-6-20)30(3)4;1-17-5-8-22(26-16-17)32-19-9-13-28(14-10-19)23(30)20-15-18(25)6-7-21(20)27-24(31)29-11-3-2-4-12-29;1-14-2-7-20(24-13-14)29-17-8-10-26(11-9-17)22(28)18-12-16(23)5-6-19(18)25-21(27)15-3-4-15;2*2-1-3/h2*3-19,26-27,36H,20-25,28H2,1-2H3,(H,43,47);4-13,18-20,26H,14-17,35H2,1-3H3,(H,37,40);5-16,22,28H,17-21H2,1-4H3,(H,32,37);4-11,21-22,26H,12-20H2,1-3H3,(H,30,35);5-12,19,23H,13-18H2,1-4H3,(H,27,32);5-8,15-16,19H,2-4,9-14H2,1H3,(H,27,31);2,5-7,12-13,15,17H,3-4,8-11H2,1H3,(H,25,27);;/b;;;16-14-;11-9-;12-10-;;;;
InChIKeyNANPDQMVTHBBAF-BCICIINYSA-N
MW4338.18 g/mol
LogP36.52
Rot. Bonds66

About 2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide

2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide (PubChem CID 167625439) has the molecular formula C249H280F5N35O30 and a molecular weight of 4338.18 g/mol. Its IUPAC name is 2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide
PubChem CID167625439
Molecular FormulaC249H280F5N35O30
Molecular Weight4338.18 g/mol
Exact Mass4335.14
IUPAC Name2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide
SMILESCN(C)CCNC(=O)/C=C\C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(COc5ccccc5)cc4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(COc5ccccc5)cc4)cn3)CC2)cc1.CN(C)c1ccc(CNC(=O)/C=C\C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.CN1CCC(CNC(=O)/C=C\C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)CC1.Cc1ccc(N)c(C(=O)Nc2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)c1.Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3NC(=O)C3CC3)CC2)nc1.Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3NC(=O)N3CCCCC3)CC2)nc1.O=C=O.O=C=O
InChIInChI=1S/2C41H41FN4O4.C33H34FN5O3.C31H37N5O3.C29H39N5O3.C26H35N5O3.C24H29FN4O3.C22H24FN3O3.2CO2/c1-45(2)34-16-10-29(11-17-34)20-23-43-40(47)38-26-33(42)15-18-37(38)41(48)46-24-21-36(22-25-46)50-39-19-14-32(27-44-39)31-12-8-30(9-13-31)28-49-35-6-4-3-5-7-35;1-45(2)34-16-10-29(11-17-34)20-23-43-40(47)37-18-15-33(42)26-38(37)41(48)46-24-21-36(22-25-46)50-39-19-14-32(27-44-39)31-12-8-30(9-13-31)28-49-35-6-4-3-5-7-35;1-21-4-11-29(35)27(18-21)32(40)37-30-12-8-24(34)19-28(30)33(41)39-16-14-26(15-17-39)42-31-13-7-23(20-36-31)22-5-9-25(10-6-22)38(2)3;1-34(2)26-10-5-23(6-11-26)21-32-29(37)14-16-31(38)36-19-17-28(18-20-36)39-30-15-9-25(22-33-30)24-7-12-27(13-8-24)35(3)4;1-32(2)25-7-4-23(5-8-25)24-6-10-28(31-21-24)37-26-14-18-34(19-15-26)29(36)11-9-27(35)30-20-22-12-16-33(3)17-13-22;1-29(2)18-15-27-24(32)10-12-26(33)31-16-13-23(14-17-31)34-25-11-7-21(19-28-25)20-5-8-22(9-6-20)30(3)4;1-17-5-8-22(26-16-17)32-19-9-13-28(14-10-19)23(30)20-15-18(25)6-7-21(20)27-24(31)29-11-3-2-4-12-29;1-14-2-7-20(24-13-14)29-17-8-10-26(11-9-17)22(28)18-12-16(23)5-6-19(18)25-21(27)15-3-4-15;2*2-1-3/h2*3-19,26-27,36H,20-25,28H2,1-2H3,(H,43,47);4-13,18-20,26H,14-17,35H2,1-3H3,(H,37,40);5-16,22,28H,17-21H2,1-4H3,(H,32,37);4-11,21-22,26H,12-20H2,1-3H3,(H,30,35);5-12,19,23H,13-18H2,1-4H3,(H,27,32);5-8,15-16,19H,2-4,9-14H2,1H3,(H,27,31);2,5-7,12-13,15,17H,3-4,8-11H2,1H3,(H,25,27);;/b;;;16-14-;11-9-;12-10-;;;;
InChIKeyNANPDQMVTHBBAF-BCICIINYSA-N
XLogP36.52
TPSA717.40 Ų
H-Bond Donors9
H-Bond Acceptors48
Rotatable Bonds66
Heavy Atoms319
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004338.18
LogP ≤ 536.52
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1048

Analyze 2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of 2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide (CID 167625439) is 2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide is CN(C)CCNC(=O)/C=C\C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(COc5ccccc5)cc4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(COc5ccccc5)cc4)cn3)CC2)cc1.CN(C)c1ccc(CNC(=O)/C=C\C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.CN1CCC(CNC(=O)/C=C\C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)CC1.Cc1ccc(N)c(C(=O)Nc2ccc(F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)c1.Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3NC(=O)C3CC3)CC2)nc1.Cc1ccc(OC2CCN(C(=O)c3cc(F)ccc3NC(=O)N3CCCCC3)CC2)nc1.O=C=O.O=C=O.
What is the InChIKey of 2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide?
The InChIKey is NANPDQMVTHBBAF-BCICIINYSA-N. The full InChI is InChI=1S/2C41H41FN4O4.C33H34FN5O3.C31H37N5O3.C29H39N5O3.C26H35N5O3.C24H29FN4O3.C22H24FN3O3.2CO2/c1-45(2)34-16-10-29(11-17-34)20-23-43-40(47)38-26-33(42)15-18-37(38)41(48)46-24-21-36(22-25-46)50-39-19-14-32(27-44-39)31-12-8-30(9-13-31)28-49-35-6-4-3-5-7-35;1-45(2)34-16-10-29(11-17-34)20-23-43-40(47)37-18-15-33(42)26-38(37)41(48)46-24-21-36(22-25-46)50-39-19-14-32(27-44-39)31-12-8-30(9-13-31)28-49-35-6-4-3-5-7-35;1-21-4-11-29(35)27(18-21)32(40)37-30-12-8-24(34)19-28(30)33(41)39-16-14-26(15-17-39)42-31-13-7-23(20-36-31)22-5-9-25(10-6-22)38(2)3;1-34(2)26-10-5-23(6-11-26)21-32-29(37)14-16-31(38)36-19-17-28(18-20-36)39-30-15-9-25(22-33-30)24-7-12-27(13-8-24)35(3)4;1-32(2)25-7-4-23(5-8-25)24-6-10-28(31-21-24)37-26-14-18-34(19-15-26)29(36)11-9-27(35)30-20-22-12-16-33(3)17-13-22;1-29(2)18-15-27-24(32)10-12-26(33)31-16-13-23(14-17-31)34-25-11-7-21(19-28-25)20-5-8-22(9-6-20)30(3)4;1-17-5-8-22(26-16-17)32-19-9-13-28(14-10-19)23(30)20-15-18(25)6-7-21(20)27-24(31)29-11-3-2-4-12-29;1-14-2-7-20(24-13-14)29-17-8-10-26(11-9-17)22(28)18-12-16(23)5-6-19(18)25-21(27)15-3-4-15;2*2-1-3/h2*3-19,26-27,36H,20-25,28H2,1-2H3,(H,43,47);4-13,18-20,26H,14-17,35H2,1-3H3,(H,37,40);5-16,22,28H,17-21H2,1-4H3,(H,32,37);4-11,21-22,26H,12-20H2,1-3H3,(H,30,35);5-12,19,23H,13-18H2,1-4H3,(H,27,32);5-8,15-16,19H,2-4,9-14H2,1H3,(H,27,31);2,5-7,12-13,15,17H,3-4,8-11H2,1H3,(H,25,27);;/b;;;16-14-;11-9-;12-10-;;;;.
What are the key properties of 2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide?
2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide has a molecular weight of 4338.18 g/mol, XLogP of 36.52, 66 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-fluorophenyl]-5-methylbenzamide;bis(carbon dioxide);(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(phenoxymethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;(Z)-N-[[4-(dimethylamino)phenyl]methyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-4-oxobut-2-enamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[(1-methylpiperidin-4-yl)methyl]-4-oxobut-2-enamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;N-[4-fluoro-2-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 167625439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).