N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide

C160H218F3N35O15S — CID 159939763

IUPACN-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide
SMILESCC(=O)N1CCC(Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)C(F)(F)F)ccn2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)N(C)C)ccn2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)NC(C)C)ccn2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)NS(C)(=O)=O)ccn2)CC1.CC(=O)NC(CNC(=O)c1ccnc(NC2CCN(C(C)=O)CC2)c1)CN1CCc2ccccc2C1.CNC(CNC(=O)c1ccnc(NC2CCN(C(C)=O)CC2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C28H40N6O2.C27H36N6O3.C27H38N6O2.C26H32F3N5O2.C26H36N6O4S.C26H36N6O2/c1-20(2)31-26(19-33-13-9-22-6-4-5-7-24(22)18-33)17-30-28(36)23-8-12-29-27(16-23)32-25-10-14-34(15-11-25)21(3)35;1-19(34)30-25(18-32-12-8-21-5-3-4-6-23(21)17-32)16-29-27(36)22-7-11-28-26(15-22)31-24-9-13-33(14-10-24)20(2)35;1-20(34)33-14-10-24(11-15-33)30-26-16-22(8-12-28-26)27(35)29-17-25(31(2)3)19-32-13-9-21-6-4-5-7-23(21)18-32;1-18(35)34-12-8-23(9-13-34)32-24-14-20(6-10-30-24)25(36)31-15-22(26(27,28)29)17-33-11-7-19-4-2-3-5-21(19)16-33;1-19(33)32-13-9-23(10-14-32)29-25-15-21(7-11-27-25)26(34)28-16-24(30-37(2,35)36)18-31-12-8-20-5-3-4-6-22(20)17-31;1-19(33)32-13-9-23(10-14-32)30-25-15-21(7-11-28-25)26(34)29-16-24(27-2)18-31-12-8-20-5-3-4-6-22(20)17-31/h4-8,12,16,20,25-26,31H,9-11,13-15,17-19H2,1-3H3,(H,29,32)(H,30,36);3-7,11,15,24-25H,8-10,12-14,16-18H2,1-2H3,(H,28,31)(H,29,36)(H,30,34);4-8,12,16,24-25H,9-11,13-15,17-19H2,1-3H3,(H,28,30)(H,29,35);2-6,10,14,22-23H,7-9,11-13,15-17H2,1H3,(H,30,32)(H,31,36);3-7,11,15,23-24,30H,8-10,12-14,16-18H2,1-2H3,(H,27,29)(H,28,34);3-7,11,15,23-24,27H,8-10,12-14,16-18H2,1-2H3,(H,28,30)(H,29,34)
InChIKeyOASLLOHRSIXWNX-UHFFFAOYSA-N
MW2960.79 g/mol
LogP13.24
Rot. Bonds49

About N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide

N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide (PubChem CID 159939763) has the molecular formula C160H218F3N35O15S and a molecular weight of 2960.79 g/mol. Its IUPAC name is N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide
PubChem CID159939763
Molecular FormulaC160H218F3N35O15S
Molecular Weight2960.79 g/mol
Exact Mass2958.70
IUPAC NameN-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide
SMILESCC(=O)N1CCC(Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)C(F)(F)F)ccn2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)N(C)C)ccn2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)NC(C)C)ccn2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)NS(C)(=O)=O)ccn2)CC1.CC(=O)NC(CNC(=O)c1ccnc(NC2CCN(C(C)=O)CC2)c1)CN1CCc2ccccc2C1.CNC(CNC(=O)c1ccnc(NC2CCN(C(C)=O)CC2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C28H40N6O2.C27H36N6O3.C27H38N6O2.C26H32F3N5O2.C26H36N6O4S.C26H36N6O2/c1-20(2)31-26(19-33-13-9-22-6-4-5-7-24(22)18-33)17-30-28(36)23-8-12-29-27(16-23)32-25-10-14-34(15-11-25)21(3)35;1-19(34)30-25(18-32-12-8-21-5-3-4-6-23(21)17-32)16-29-27(36)22-7-11-28-26(15-22)31-24-9-13-33(14-10-24)20(2)35;1-20(34)33-14-10-24(11-15-33)30-26-16-22(8-12-28-26)27(35)29-17-25(31(2)3)19-32-13-9-21-6-4-5-7-23(21)18-32;1-18(35)34-12-8-23(9-13-34)32-24-14-20(6-10-30-24)25(36)31-15-22(26(27,28)29)17-33-11-7-19-4-2-3-5-21(19)16-33;1-19(33)32-13-9-23(10-14-32)29-25-15-21(7-11-27-25)26(34)28-16-24(30-37(2,35)36)18-31-12-8-20-5-3-4-6-22(20)17-31;1-19(33)32-13-9-23(10-14-32)30-25-15-21(7-11-28-25)26(34)29-16-24(27-2)18-31-12-8-20-5-3-4-6-22(20)17-31/h4-8,12,16,20,25-26,31H,9-11,13-15,17-19H2,1-3H3,(H,29,32)(H,30,36);3-7,11,15,24-25H,8-10,12-14,16-18H2,1-2H3,(H,28,31)(H,29,36)(H,30,34);4-8,12,16,24-25H,9-11,13-15,17-19H2,1-3H3,(H,28,30)(H,29,35);2-6,10,14,22-23H,7-9,11-13,15-17H2,1H3,(H,30,32)(H,31,36);3-7,11,15,23-24,30H,8-10,12-14,16-18H2,1-2H3,(H,27,29)(H,28,34);3-7,11,15,23-24,27H,8-10,12-14,16-18H2,1-2H3,(H,28,30)(H,29,34)
InChIKeyOASLLOHRSIXWNX-UHFFFAOYSA-N
XLogP13.24
TPSA567.99 Ų
H-Bond Donors16
H-Bond Acceptors36
Rotatable Bonds49
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002960.79
LogP ≤ 513.24
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1036

Analyze N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Isoquinolin-3-yl-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098986
2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide
CID 90245931
2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,1,1-trifluoropropan-2-ylamino)propyl]pyridine-4-carboxamide
CID 90245932
2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide
CID 91005618
[5-Methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-[2-[6-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]-2-pyridinyl]ethyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123427541
4-fluoro-N-[8-[4-[[5-[3-[(4-fluorobenzoyl)amino]isoquinolin-6-yl]-3-pyridinyl]amino]-1-methylpiperidin-2-yl]-6-[5-(piperidin-4-ylamino)-3-pyridinyl]isoquinolin-3-yl]benzamide
CID 138606165
Ethane;[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 145622360
1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-5-fluoro-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 156793143
1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-3-fluoro-2-pyridinyl]amino]-3,3-difluoropiperidin-1-yl]ethanone
CID 156793173
1-[4-[[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-2-pyridinyl]amino]-3,3-difluoropiperidin-1-yl]ethanone
CID 156793184
N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylpropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyrimidine-4-carboxamide
CID 158390440
N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylpropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyrimidine-4-carboxamide
CID 158853789

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide (CID 159939763) is N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide is CC(=O)N1CCC(Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)C(F)(F)F)ccn2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)N(C)C)ccn2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)NC(C)C)ccn2)CC1.CC(=O)N1CCC(Nc2cc(C(=O)NCC(CN3CCc4ccccc4C3)NS(C)(=O)=O)ccn2)CC1.CC(=O)NC(CNC(=O)c1ccnc(NC2CCN(C(C)=O)CC2)c1)CN1CCc2ccccc2C1.CNC(CNC(=O)c1ccnc(NC2CCN(C(C)=O)CC2)c1)CN1CCc2ccccc2C1.
What is the InChIKey of N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide?
The InChIKey is OASLLOHRSIXWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O2.C27H36N6O3.C27H38N6O2.C26H32F3N5O2.C26H36N6O4S.C26H36N6O2/c1-20(2)31-26(19-33-13-9-22-6-4-5-7-24(22)18-33)17-30-28(36)23-8-12-29-27(16-23)32-25-10-14-34(15-11-25)21(3)35;1-19(34)30-25(18-32-12-8-21-5-3-4-6-23(21)17-32)16-29-27(36)22-7-11-28-26(15-22)31-24-9-13-33(14-10-24)20(2)35;1-20(34)33-14-10-24(11-15-33)30-26-16-22(8-12-28-26)27(35)29-17-25(31(2)3)19-32-13-9-21-6-4-5-7-23(21)18-32;1-18(35)34-12-8-23(9-13-34)32-24-14-20(6-10-30-24)25(36)31-15-22(26(27,28)29)17-33-11-7-19-4-2-3-5-21(19)16-33;1-19(33)32-13-9-23(10-14-32)29-25-15-21(7-11-27-25)26(34)28-16-24(30-37(2,35)36)18-31-12-8-20-5-3-4-6-22(20)17-31;1-19(33)32-13-9-23(10-14-32)30-25-15-21(7-11-28-25)26(34)29-16-24(27-2)18-31-12-8-20-5-3-4-6-22(20)17-31/h4-8,12,16,20,25-26,31H,9-11,13-15,17-19H2,1-3H3,(H,29,32)(H,30,36);3-7,11,15,24-25H,8-10,12-14,16-18H2,1-2H3,(H,28,31)(H,29,36)(H,30,34);4-8,12,16,24-25H,9-11,13-15,17-19H2,1-3H3,(H,28,30)(H,29,35);2-6,10,14,22-23H,7-9,11-13,15-17H2,1H3,(H,30,32)(H,31,36);3-7,11,15,23-24,30H,8-10,12-14,16-18H2,1-2H3,(H,27,29)(H,28,34);3-7,11,15,23-24,27H,8-10,12-14,16-18H2,1-2H3,(H,28,30)(H,29,34).
What are the key properties of N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide?
N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide has a molecular weight of 2960.79 g/mol, XLogP of 13.24, 49 rotatable bonds, 16 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(1-acetylpiperidin-4-yl)amino]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyridine-4-carboxamide;2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 159939763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).