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

C26H28N4O3 — CID 26330809

IUPAC5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cn(CCc3ccccn3)cc(C(=O)NCC3CC3)c2=O)cc1
InChIInChI=1S/C26H28N4O3/c1-18-5-7-19(8-6-18)14-28-25(32)22-16-30(13-11-21-4-2-3-12-27-21)17-23(24(22)31)26(33)29-15-20-9-10-20/h2-8,12,16-17,20H,9-11,13-15H2,1H3,(H,28,32)(H,29,33)
InChIKeyOQNZKAZADJXGPN-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.86
Rot. Bonds9

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

5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide (PubChem CID 26330809) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
PubChem CID26330809
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
SMILESCc1ccc(CNC(=O)c2cn(CCc3ccccn3)cc(C(=O)NCC3CC3)c2=O)cc1
InChIInChI=1S/C26H28N4O3/c1-18-5-7-19(8-6-18)14-28-25(32)22-16-30(13-11-21-4-2-3-12-27-21)17-23(24(22)31)26(33)29-15-20-9-10-20/h2-8,12,16-17,20H,9-11,13-15H2,1H3,(H,28,32)(H,29,33)
InChIKeyOQNZKAZADJXGPN-UHFFFAOYSA-N
XLogP2.86
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 45213427
3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 25465142
5-methoxycarbonyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxylic acid
CID 75464774
5-(azepane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 26278147
N-cyclooctyl-5-(2-methylpiperidine-1-carbonyl)-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 45227332
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
N-cyclooctyl-5-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 42425389
3-[[2-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzoyl]-(2-pyridin-2-ylethyl)amino]propanoic acid
CID 69430270
5-N-methyl-3-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 42164931
1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 84557714

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide (CID 26330809) is 5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide is Cc1ccc(CNC(=O)c2cn(CCc3ccccn3)cc(C(=O)NCC3CC3)c2=O)cc1.
What is the InChIKey of 5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is OQNZKAZADJXGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-18-5-7-19(8-6-18)14-28-25(32)22-16-30(13-11-21-4-2-3-12-27-21)17-23(24(22)31)26(33)29-15-20-9-10-20/h2-8,12,16-17,20H,9-11,13-15H2,1H3,(H,28,32)(H,29,33).
What are the key properties of 5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 26330809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).