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

C19H13Cl2N3O4 — CID 18582715

IUPACN-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H13Cl2N3O4/c20-14-5-6-17(16(21)9-14)22-19(26)13-4-7-18(25)23(11-13)10-12-2-1-3-15(8-12)24(27)28/h1-9,11H,10H2,(H,22,26)
InChIKeyZUDNKJADILBPON-UHFFFAOYSA-N
MW418.24 g/mol
LogP4.36
Rot. Bonds5

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

N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 18582715) has the molecular formula C19H13Cl2N3O4 and a molecular weight of 418.24 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID18582715
Molecular FormulaC19H13Cl2N3O4
Molecular Weight418.24 g/mol
Exact Mass417.03
IUPAC NameN-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H13Cl2N3O4/c20-14-5-6-17(16(21)9-14)22-19(26)13-4-7-18(25)23(11-13)10-12-2-1-3-15(8-12)24(27)28/h1-9,11H,10H2,(H,22,26)
InChIKeyZUDNKJADILBPON-UHFFFAOYSA-N
XLogP4.36
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.24
LogP ≤ 54.36
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

1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 110382697
N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582736
N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671373
N-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382694
N-(3-chloro-4-fluorophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697484
N-(2,4-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697983
1-[(3-fluorophenyl)methyl]-N-(2-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671056
N-(2,5-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697984
N-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697960
1-[(3-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-6-oxopyridine-3-carboxamide
CID 26844110
5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 3766196
N-(5-chloro-2-cyanophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671276

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 18582715) is N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is ZUDNKJADILBPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O4/c20-14-5-6-17(16(21)9-14)22-19(26)13-4-7-18(25)23(11-13)10-12-2-1-3-15(8-12)24(27)28/h1-9,11H,10H2,(H,22,26).
What are the key properties of N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 418.24 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 18582715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).