1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide

C26H21N5O3 — CID 43996027

IUPAC1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(C(=O)NC3=NN(c4ccccc4)C(=O)C3)cc3cccnc32)cc1
InChIInChI=1S/C26H21N5O3/c1-17-9-11-18(12-10-17)16-30-24-19(6-5-13-27-24)14-21(26(30)34)25(33)28-22-15-23(32)31(29-22)20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,28,29,33)
InChIKeyYKMNHBUWFKQVIO-UHFFFAOYSA-N
MW451.49 g/mol
LogP3.23
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide

1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 43996027) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide
PubChem CID43996027
Molecular FormulaC26H21N5O3
Molecular Weight451.49 g/mol
Exact Mass451.16
IUPAC Name1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(C(=O)NC3=NN(c4ccccc4)C(=O)C3)cc3cccnc32)cc1
InChIInChI=1S/C26H21N5O3/c1-17-9-11-18(12-10-17)16-30-24-19(6-5-13-27-24)14-21(26(30)34)25(33)28-22-15-23(32)31(29-22)20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,28,29,33)
InChIKeyYKMNHBUWFKQVIO-UHFFFAOYSA-N
XLogP3.23
TPSA96.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', '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
N-benzyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620472
1-[(4-methylphenyl)methyl]-N-(4-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620583
N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620568
1-[(4-methylphenyl)methyl]-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7620499
1-[(4-methylphenyl)methyl]-2-oxo-N-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-1,8-naphthyridine-3-carboxamide
CID 43996050
1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide
CID 7620412
1-benzyl-2-oxo-N-pyridin-3-yl-1,8-naphthyridine-3-carboxamide
CID 7620300
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620743
N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620470
1-[(4-methylphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 43995954

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide (CID 43996027) is 1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide is Cc1ccc(Cn2c(=O)c(C(=O)NC3=NN(c4ccccc4)C(=O)C3)cc3cccnc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is YKMNHBUWFKQVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c1-17-9-11-18(12-10-17)16-30-24-19(6-5-13-27-24)14-21(26(30)34)25(33)28-22-15-23(32)31(29-22)20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,28,29,33).
What are the key properties of 1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide?
1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 451.49 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43996027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).