N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide

C20H16N4O7 — CID 18582736

IUPACN-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C20H16N4O7/c1-31-18-10-16(24(29)30)6-7-17(18)21-20(26)14-5-8-19(25)22(12-14)11-13-3-2-4-15(9-13)23(27)28/h2-10,12H,11H2,1H3,(H,21,26)
InChIKeyDKNVLRZYPHKGCG-UHFFFAOYSA-N
MW424.37 g/mol
LogP2.97
Rot. Bonds7

About N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide

N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 18582736) has the molecular formula C20H16N4O7 and a molecular weight of 424.37 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID18582736
Molecular FormulaC20H16N4O7
Molecular Weight424.37 g/mol
Exact Mass424.10
IUPAC NameN-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C20H16N4O7/c1-31-18-10-16(24(29)30)6-7-17(18)21-20(26)14-5-8-19(25)22(12-14)11-13-3-2-4-15(9-13)23(27)28/h2-10,12H,11H2,1H3,(H,21,26)
InChIKeyDKNVLRZYPHKGCG-UHFFFAOYSA-N
XLogP2.97
TPSA146.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671373
N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582715
1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 110382697
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
N-(2,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382358
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
N-(2,4-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697983
1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-6-oxopyridine-3-carboxamide
CID 58020009
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028
N-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697960
N-(2,5-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697984
1-[(3-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-6-oxopyridine-3-carboxamide
CID 26844110

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 18582736) is N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is DKNVLRZYPHKGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O7/c1-31-18-10-16(24(29)30)6-7-17(18)21-20(26)14-5-8-19(25)22(12-14)11-13-3-2-4-15(9-13)23(27)28/h2-10,12H,11H2,1H3,(H,21,26).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 424.37 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 18582736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).