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

C21H17N3O5 — CID 7599212

IUPACN-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c1
InChIInChI=1S/C21H17N3O5/c1-14(25)16-6-3-7-17(12-16)22-20(26)19-9-4-10-23(21(19)27)13-15-5-2-8-18(11-15)24(28)29/h2-12H,13H2,1H3,(H,22,26)
InChIKeyCQCADJLRKYXXHG-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.26
Rot. Bonds6

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

N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7599212) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7599212
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC NameN-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c1
InChIInChI=1S/C21H17N3O5/c1-14(25)16-6-3-7-17(12-16)22-20(26)19-9-4-10-23(21(19)27)13-15-5-2-8-18(11-15)24(28)29/h2-12H,13H2,1H3,(H,22,26)
InChIKeyCQCADJLRKYXXHG-UHFFFAOYSA-N
XLogP3.26
TPSA111.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.26
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

N-(3-methylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599175
1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598295
N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599231
N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide
CID 7422689
N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599190
1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599052
N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599222
N-(4-acetylphenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599073
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
N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599305
1-benzyl-N-(3-bromophenyl)-2-oxopyridine-3-carboxamide
CID 7422670

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7599212) is N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is CQCADJLRKYXXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-14(25)16-6-3-7-17(12-16)22-20(26)19-9-4-10-23(21(19)27)13-15-5-2-8-18(11-15)24(28)29/h2-12H,13H2,1H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 391.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7599212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).