1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide

C20H17N3O4 — CID 7598295

IUPAC1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2=O)c1
InChIInChI=1S/C20H17N3O4/c1-14-5-2-6-15(11-14)13-22-10-4-9-18(20(22)25)19(24)21-16-7-3-8-17(12-16)23(26)27/h2-12H,13H2,1H3,(H,21,24)
InChIKeyPCTVNKGTFSYICL-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.37
Rot. Bonds5

About 1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide

1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 7598295) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide
PubChem CID7598295
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2=O)c1
InChIInChI=1S/C20H17N3O4/c1-14-5-2-6-15(11-14)13-22-10-4-9-18(20(22)25)19(24)21-16-7-3-8-17(12-16)23(26)27/h2-12H,13H2,1H3,(H,21,24)
InChIKeyPCTVNKGTFSYICL-UHFFFAOYSA-N
XLogP3.37
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599175
N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599231
N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599212
N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 48520347
1-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598003
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691
1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599052
N-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598355
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 16803770
N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599190
1-[(3-methylphenyl)methyl]-N-(6-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide
CID 99609154
N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599222

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide (CID 7598295) is 1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide is Cc1cccc(Cn2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2=O)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is PCTVNKGTFSYICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-14-5-2-6-15(11-14)13-22-10-4-9-18(20(22)25)19(24)21-16-7-3-8-17(12-16)23(26)27/h2-12H,13H2,1H3,(H,21,24).
What are the key properties of 1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide?
1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7598295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).