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

C25H26N4O3 — CID 118758455

IUPAC3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cn(CCc2ccccn2)cc(C(=O)NCc2ccc(C)cc2)c1=O
InChIInChI=1S/C25H26N4O3/c1-3-12-27-24(31)21-16-29(14-11-20-6-4-5-13-26-20)17-22(23(21)30)25(32)28-15-19-9-7-18(2)8-10-19/h3-10,13,16-17H,1,11-12,14-15H2,2H3,(H,27,31)(H,28,32)
InChIKeyCZGVSNVDVHVXCM-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.64
Rot. Bonds9

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

3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide (PubChem CID 118758455) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
PubChem CID118758455
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cn(CCc2ccccn2)cc(C(=O)NCc2ccc(C)cc2)c1=O
InChIInChI=1S/C25H26N4O3/c1-3-12-27-24(31)21-16-29(14-11-20-6-4-5-13-26-20)17-22(23(21)30)25(32)28-15-19-9-7-18(2)8-10-19/h3-10,13,16-17H,1,11-12,14-15H2,2H3,(H,27,31)(H,28,32)
InChIKeyCZGVSNVDVHVXCM-UHFFFAOYSA-N
XLogP2.64
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 25465142
3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 45213427
5-methoxycarbonyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxylic acid
CID 75464774
3-[[2-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzoyl]-(2-pyridin-2-ylethyl)amino]propanoic acid
CID 69430270
1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 26397434
3-N-[(4-methoxyphenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 42500950
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066823
1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide
CID 7620412
1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 84557714
5-(azepane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 26278147

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide (CID 118758455) is 3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide is C=CCNC(=O)c1cn(CCc2ccccn2)cc(C(=O)NCc2ccc(C)cc2)c1=O.
What is the InChIKey of 3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is CZGVSNVDVHVXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-3-12-27-24(31)21-16-29(14-11-20-6-4-5-13-26-20)17-22(23(21)30)25(32)28-15-19-9-7-18(2)8-10-19/h3-10,13,16-17H,1,11-12,14-15H2,2H3,(H,27,31)(H,28,32).
What are the key properties of 3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 118758455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).