3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide

C35H46N6O4 — CID 70872585

IUPAC3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide
SMILESCC(=O)NC1CCC(N(C)c2cc(-c3ccc(CN4CCOCC4)nc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1
InChIInChI=1S/C35H46N6O4/c1-22-16-23(2)38-35(44)32(22)20-37-34(43)31-17-27(26-6-7-29(36-19-26)21-41-12-14-45-15-13-41)18-33(24(31)3)40(5)30-10-8-28(9-11-30)39-25(4)42/h6-7,16-19,28,30H,8-15,20-21H2,1-5H3,(H,37,43)(H,38,44)(H,39,42)
InChIKeyYJIZUGAMEZXSLT-UHFFFAOYSA-N
MW614.79 g/mol
LogP4.01
Rot. Bonds9

About 3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide

3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide (PubChem CID 70872585) has the molecular formula C35H46N6O4 and a molecular weight of 614.79 g/mol. Its IUPAC name is 3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide
PubChem CID70872585
Molecular FormulaC35H46N6O4
Molecular Weight614.79 g/mol
Exact Mass614.36
IUPAC Name3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide
SMILESCC(=O)NC1CCC(N(C)c2cc(-c3ccc(CN4CCOCC4)nc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1
InChIInChI=1S/C35H46N6O4/c1-22-16-23(2)38-35(44)32(22)20-37-34(43)31-17-27(26-6-7-29(36-19-26)21-41-12-14-45-15-13-41)18-33(24(31)3)40(5)30-10-8-28(9-11-30)39-25(4)42/h6-7,16-19,28,30H,8-15,20-21H2,1-5H3,(H,37,43)(H,38,44)(H,39,42)
InChIKeyYJIZUGAMEZXSLT-UHFFFAOYSA-N
XLogP4.01
TPSA119.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.79
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide?
The IUPAC name of 3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide (CID 70872585) is 3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide is CC(=O)NC1CCC(N(C)c2cc(-c3ccc(CN4CCOCC4)nc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1.
What is the InChIKey of 3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide?
The InChIKey is YJIZUGAMEZXSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N6O4/c1-22-16-23(2)38-35(44)32(22)20-37-34(43)31-17-27(26-6-7-29(36-19-26)21-41-12-14-45-15-13-41)18-33(24(31)3)40(5)30-10-8-28(9-11-30)39-25(4)42/h6-7,16-19,28,30H,8-15,20-21H2,1-5H3,(H,37,43)(H,38,44)(H,39,42).
What are the key properties of 3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide?
3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide has a molecular weight of 614.79 g/mol, XLogP of 4.01, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidocyclohexyl)-methylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 70872585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).