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

C20H17N3O5 — CID 110382464

IUPACN-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O
InChIInChI=1S/C20H17N3O5/c1-14-6-2-3-10-18(14)21-19(24)17-9-5-11-22(20(17)25)28-13-15-7-4-8-16(12-15)23(26)27/h2-12H,13H2,1H3,(H,21,24)
InChIKeyFFBNGRMTRIZGNO-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.95
Rot. Bonds6

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

N-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide (PubChem CID 110382464) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide
PubChem CID110382464
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC NameN-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O
InChIInChI=1S/C20H17N3O5/c1-14-6-2-3-10-18(14)21-19(24)17-9-5-11-22(20(17)25)28-13-15-7-4-8-16(12-15)23(26)27/h2-12H,13H2,1H3,(H,21,24)
InChIKeyFFBNGRMTRIZGNO-UHFFFAOYSA-N
XLogP2.95
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-[(3-methoxyphenyl)methoxy]-N-(2-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 110381928
N-(2,3-dimethylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110383139
N-(2,3-dimethylphenyl)-1-[(3-methoxyphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382730
N-(2-acetylphenyl)-1-[(3-methylphenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382768
methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382409
1-[(3-chlorophenyl)methoxy]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 40505003
1-[(3-methylphenyl)methoxy]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide
CID 46259869
N-(2-carbamoylphenyl)-1-[(3-chlorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382847
N-(2-carbamoylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382870
1-[(3-chlorophenyl)methoxy]-N-(2-cyanophenyl)-2-oxopyridine-3-carboxamide
CID 110382844
N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599190
N-(2-cyanophenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382865

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide (CID 110382464) is N-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide is Cc1ccccc1NC(=O)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O.
What is the InChIKey of N-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide?
The InChIKey is FFBNGRMTRIZGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-14-6-2-3-10-18(14)21-19(24)17-9-5-11-22(20(17)25)28-13-15-7-4-8-16(12-15)23(26)27/h2-12H,13H2,1H3,(H,21,24).
What are the key properties of N-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide?
N-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-[(3-nitrophenyl)methoxy]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110382464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).