3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide

C27H32N4O4 — CID 45213427

IUPAC3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
SMILESCCC(COC)NC(=O)c1cn(CCc2ccccn2)cc(C(=O)NCc2ccc(C)cc2)c1=O
InChIInChI=1S/C27H32N4O4/c1-4-21(18-35-3)30-27(34)24-17-31(14-12-22-7-5-6-13-28-22)16-23(25(24)32)26(33)29-15-20-10-8-19(2)9-11-20/h5-11,13,16-17,21H,4,12,14-15,18H2,1-3H3,(H,29,33)(H,30,34)
InChIKeyLILVTIMITAFISB-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.88
Rot. Bonds11

About 3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide

3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide (PubChem CID 45213427) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
PubChem CID45213427
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
SMILESCCC(COC)NC(=O)c1cn(CCc2ccccn2)cc(C(=O)NCc2ccc(C)cc2)c1=O
InChIInChI=1S/C27H32N4O4/c1-4-21(18-35-3)30-27(34)24-17-31(14-12-22-7-5-6-13-28-22)16-23(25(24)32)26(33)29-15-20-10-8-19(2)9-11-20/h5-11,13,16-17,21H,4,12,14-15,18H2,1-3H3,(H,29,33)(H,30,34)
InChIKeyLILVTIMITAFISB-UHFFFAOYSA-N
XLogP2.88
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 26330809
3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 118758455
3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 25465142
1-(2-methoxyethyl)-5-N-[(4-methylphenyl)methyl]-4-oxo-3-N-[(1R)-1-thiophen-2-ylpropyl]pyridine-3,5-dicarboxamide
CID 42235897
5-methoxycarbonyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxylic acid
CID 75464774
2,3-dimethyl-N-(1-pyridin-2-ylpentan-3-yl)benzamide
CID 68781328
2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103755507
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 42209955
3-[[2-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzoyl]-(2-pyridin-2-ylethyl)amino]propanoic acid
CID 69430270
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 71704949
1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 84557714

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide (CID 45213427) is 3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide is CCC(COC)NC(=O)c1cn(CCc2ccccn2)cc(C(=O)NCc2ccc(C)cc2)c1=O.
What is the InChIKey of 3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is LILVTIMITAFISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-4-21(18-35-3)30-27(34)24-17-31(14-12-22-7-5-6-13-28-22)16-23(25(24)32)26(33)29-15-20-10-8-19(2)9-11-20/h5-11,13,16-17,21H,4,12,14-15,18H2,1-3H3,(H,29,33)(H,30,34).
What are the key properties of 3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 476.58 g/mol, XLogP of 2.88, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 45213427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).