1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide

C21H21N3O2 — CID 7598678

IUPAC1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C)c(Cn2cccc(C(=O)Nc3cccc(C)n3)c2=O)c1
InChIInChI=1S/C21H21N3O2/c1-14-9-10-15(2)17(12-14)13-24-11-5-7-18(21(24)26)20(25)23-19-8-4-6-16(3)22-19/h4-12H,13H2,1-3H3,(H,22,23,25)
InChIKeyCHBOEPDUBYNQRW-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.47
Rot. Bonds4

About 1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide

1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide (PubChem CID 7598678) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
PubChem CID7598678
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C)c(Cn2cccc(C(=O)Nc3cccc(C)n3)c2=O)c1
InChIInChI=1S/C21H21N3O2/c1-14-9-10-15(2)17(12-14)13-24-11-5-7-18(21(24)26)20(25)23-19-8-4-6-16(3)22-19/h4-12H,13H2,1-3H3,(H,22,23,25)
InChIKeyCHBOEPDUBYNQRW-UHFFFAOYSA-N
XLogP3.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598638
N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598690
N-(4-carbamoylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598720
N-(2,5-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597915
1-[(2,5-dimethylphenyl)methyl]-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598660
1-[(2-chloro-6-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598234
1-[(2,5-dimethylphenyl)methyl]-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7598610
1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 7598626
ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7598620
N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 8670906
1-[(4-methylphenyl)methyl]-N-(4-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598774
N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597913

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide (CID 7598678) is 1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide is Cc1ccc(C)c(Cn2cccc(C(=O)Nc3cccc(C)n3)c2=O)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide?
The InChIKey is CHBOEPDUBYNQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-9-10-15(2)17(12-14)13-24-11-5-7-18(21(24)26)20(25)23-19-8-4-6-16(3)22-19/h4-12H,13H2,1-3H3,(H,22,23,25).
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide?
1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7598678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).