N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide

C41H57N7O3 — CID 170695207

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide
SMILESCCN(C)C1CCC(N(CC)c2cc(-c3ccc4c(c3)n(C)c(=O)n4C3CCN(C)CC3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1
InChIInChI=1S/C41H57N7O3/c1-9-45(7)31-12-14-32(15-13-31)47(10-2)37-24-30(22-34(28(37)5)39(49)42-25-35-26(3)21-27(4)43-40(35)50)29-11-16-36-38(23-29)46(8)41(51)48(36)33-17-19-44(6)20-18-33/h11,16,21-24,31-33H,9-10,12-15,17-20,25H2,1-8H3,(H,42,49)(H,43,50)
InChIKeyUEDPNEDLEDOSAH-UHFFFAOYSA-N
MW695.95 g/mol
LogP5.91
Rot. Bonds10

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide (PubChem CID 170695207) has the molecular formula C41H57N7O3 and a molecular weight of 695.95 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide
PubChem CID170695207
Molecular FormulaC41H57N7O3
Molecular Weight695.95 g/mol
Exact Mass695.45
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide
SMILESCCN(C)C1CCC(N(CC)c2cc(-c3ccc4c(c3)n(C)c(=O)n4C3CCN(C)CC3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1
InChIInChI=1S/C41H57N7O3/c1-9-45(7)31-12-14-32(15-13-31)47(10-2)37-24-30(22-34(28(37)5)39(49)42-25-35-26(3)21-27(4)43-40(35)50)29-11-16-36-38(23-29)46(8)41(51)48(36)33-17-19-44(6)20-18-33/h11,16,21-24,31-33H,9-10,12-15,17-20,25H2,1-8H3,(H,42,49)(H,43,50)
InChIKeyUEDPNEDLEDOSAH-UHFFFAOYSA-N
XLogP5.91
TPSA98.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.95
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide with MolForge

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylpyrrolidin-3-yl)amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide
CID 170695193
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(3-methyl-2-oxo-1-piperidin-4-ylbenzimidazol-5-yl)benzamide
CID 170695181
5-[1-[1-(cyclopropanecarbonyl)azetidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 170695213
5-[3-[1-(cyclopropylmethyl)azetidin-3-yl]-1-methyl-2-oxobenzimidazol-5-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 170695196
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-5-(trifluoromethyl)benzamide
CID 70913333
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-5-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)benzamide
CID 155153110
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(4-methylphenyl)benzamide
CID 70872858
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]benzamide
CID 156626813
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-methylpyrimidin-5-yl)benzamide
CID 70872436
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 70872589
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethynyl]benzamide
CID 118424481
3-[cyclopentyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 166958022

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide (CID 170695207) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide is CCN(C)C1CCC(N(CC)c2cc(-c3ccc4c(c3)n(C)c(=O)n4C3CCN(C)CC3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide?
The InChIKey is UEDPNEDLEDOSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H57N7O3/c1-9-45(7)31-12-14-32(15-13-31)47(10-2)37-24-30(22-34(28(37)5)39(49)42-25-35-26(3)21-27(4)43-40(35)50)29-11-16-36-38(23-29)46(8)41(51)48(36)33-17-19-44(6)20-18-33/h11,16,21-24,31-33H,9-10,12-15,17-20,25H2,1-8H3,(H,42,49)(H,43,50).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide has a molecular weight of 695.95 g/mol, XLogP of 5.91, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[ethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-[3-methyl-1-(1-methylpiperidin-4-yl)-2-oxobenzimidazol-5-yl]benzamide is sourced from PubChem (CID 170695207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).