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

C21H17N3O5 — CID 8697960

IUPACN-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccc([N+](=O)[O-])cc3)c2)c1
InChIInChI=1S/C21H17N3O5/c1-14(25)16-3-2-4-18(11-16)22-21(27)17-7-10-20(26)23(13-17)12-15-5-8-19(9-6-15)24(28)29/h2-11,13H,12H2,1H3,(H,22,27)
InChIKeyHZTRXVVSGFIBCW-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.26
Rot. Bonds6

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

N-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 8697960) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID8697960
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC NameN-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccc([N+](=O)[O-])cc3)c2)c1
InChIInChI=1S/C21H17N3O5/c1-14(25)16-3-2-4-18(11-16)22-21(27)17-7-10-20(26)23(13-17)12-15-5-8-19(9-6-15)24(28)29/h2-11,13H,12H2,1H3,(H,22,27)
InChIKeyHZTRXVVSGFIBCW-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-(2,6-difluorophenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382694
N-(2,4-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697983
N-(2,5-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697984
1-[(4-nitrophenyl)methyl]-N-(1,2-oxazol-3-yl)-6-oxopyridine-3-carboxamide
CID 8698035
1-[(2-chlorophenyl)methyl]-N-(4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671412
1-benzyl-N-(2-chloro-4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 110382697
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671146
1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 8698027
N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582736
1-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 110382997
1-[(3,4-dichlorophenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8698322
N-(3-acetylphenyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 110693091

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 8697960) is N-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3ccc([N+](=O)[O-])cc3)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is HZTRXVVSGFIBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c1-14(25)16-3-2-4-18(11-16)22-21(27)17-7-10-20(26)23(13-17)12-15-5-8-19(9-6-15)24(28)29/h2-11,13H,12H2,1H3,(H,22,27).
What are the key properties of N-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(3-acetylphenyl)-1-[(4-nitrophenyl)methyl]-6-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-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 8697960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).