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

C19H14ClN3O4 — CID 7599190

IUPACN-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O
InChIInChI=1S/C19H14ClN3O4/c20-16-8-1-2-9-17(16)21-18(24)15-7-4-10-22(19(15)25)12-13-5-3-6-14(11-13)23(26)27/h1-11H,12H2,(H,21,24)
InChIKeyVDQDBPZDRBXGJB-UHFFFAOYSA-N
MW383.79 g/mol
LogP3.71
Rot. Bonds5

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

N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7599190) has the molecular formula C19H14ClN3O4 and a molecular weight of 383.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7599190
Molecular FormulaC19H14ClN3O4
Molecular Weight383.79 g/mol
Exact Mass383.07
IUPAC NameN-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O
InChIInChI=1S/C19H14ClN3O4/c20-16-8-1-2-9-17(16)21-18(24)15-7-4-10-22(19(15)25)12-13-5-3-6-14(11-13)23(26)27/h1-11H,12H2,(H,21,24)
InChIKeyVDQDBPZDRBXGJB-UHFFFAOYSA-N
XLogP3.71
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 53.71
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-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599231
N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599222
N-(3-methylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599175
1-benzyl-N-(2,3-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 7422695
N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599212
1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599052
1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598295
1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7422717
N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 48520347
N-(1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599269
1-[(4-fluorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7597772
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 16803770

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7599190) is N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide is O=C(Nc1ccccc1Cl)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O.
What is the InChIKey of N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is VDQDBPZDRBXGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4/c20-16-8-1-2-9-17(16)21-18(24)15-7-4-10-22(19(15)25)12-13-5-3-6-14(11-13)23(26)27/h1-11H,12H2,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 383.79 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7599190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).