N-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C24H20N4O4 — CID 43996009

IUPACN-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc3cccnc32)cc1
InChIInChI=1S/C24H20N4O4/c1-15-5-8-17(9-6-15)14-27-22-18(4-3-11-25-22)12-20(24(27)30)23(29)26-21-13-19(28(31)32)10-7-16(21)2/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyFNJXBITXTYFJDL-UHFFFAOYSA-N
MW428.45 g/mol
LogP4.22
Rot. Bonds5

About N-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 43996009) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID43996009
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc3cccnc32)cc1
InChIInChI=1S/C24H20N4O4/c1-15-5-8-17(9-6-15)14-27-22-18(4-3-11-25-22)12-20(24(27)30)23(29)26-21-13-19(28(31)32)10-7-16(21)2/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyFNJXBITXTYFJDL-UHFFFAOYSA-N
XLogP4.22
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.22
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-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620565
N-(2-ethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620518
1-[(4-chlorophenyl)methyl]-N-(2-cyano-4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996297
1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620241
1-[(4-methylphenyl)methyl]-N-(4-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620583
N-benzyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620472
1-[(4-methylphenyl)methyl]-2-oxo-N-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-1,8-naphthyridine-3-carboxamide
CID 43996050
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996326
1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide
CID 7620412
1-[(4-methylphenyl)methyl]-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7620499
N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620437
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620743

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 43996009) is N-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is Cc1ccc(Cn2c(=O)c(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc3cccnc32)cc1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is FNJXBITXTYFJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-15-5-8-17(9-6-15)14-27-22-18(4-3-11-25-22)12-20(24(27)30)23(29)26-21-13-19(28(31)32)10-7-16(21)2/h3-13H,14H2,1-2H3,(H,26,29).
What are the key properties of N-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43996009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).