1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C22H16N4O4 — CID 7620241

IUPAC1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H16N4O4/c27-21(24-17-8-10-18(11-9-17)26(29)30)19-13-16-7-4-12-23-20(16)25(22(19)28)14-15-5-2-1-3-6-15/h1-13H,14H2,(H,24,27)
InChIKeyKMDVAIZQQJPYNP-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.61
Rot. Bonds5

About 1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7620241) has the molecular formula C22H16N4O4 and a molecular weight of 400.39 g/mol. Its IUPAC name is 1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7620241
Molecular FormulaC22H16N4O4
Molecular Weight400.39 g/mol
Exact Mass400.12
IUPAC Name1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H16N4O4/c27-21(24-17-8-10-18(11-9-17)26(29)30)19-13-16-7-4-12-23-20(16)25(22(19)28)14-15-5-2-1-3-6-15/h1-13H,14H2,(H,24,27)
InChIKeyKMDVAIZQQJPYNP-UHFFFAOYSA-N
XLogP3.61
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.61
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

1-benzyl-N-(4-ethoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620250
1-benzyl-2-oxo-N-pyridin-3-yl-1,8-naphthyridine-3-carboxamide
CID 7620300
N-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996009
1-benzyl-N-(2-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620230
N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996288
1-benzyl-2-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 43995915
1-benzyl-N-(2-carbamoylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620334
1-[(4-chlorophenyl)methyl]-N-(2-cyano-4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996297
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620801
1-[(4-fluorophenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 26844218
N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620565
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7620241) is 1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is KMDVAIZQQJPYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4/c27-21(24-17-8-10-18(11-9-17)26(29)30)19-13-16-7-4-12-23-20(16)25(22(19)28)14-15-5-2-1-3-6-15/h1-13H,14H2,(H,24,27).
What are the key properties of 1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 400.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).