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

C20H19N3O2 — CID 7620412

IUPAC1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide
SMILESC=CCNC(=O)c1cc2cccnc2n(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C20H19N3O2/c1-3-10-22-19(24)17-12-16-5-4-11-21-18(16)23(20(17)25)13-15-8-6-14(2)7-9-15/h3-9,11-12H,1,10,13H2,2H3,(H,22,24)
InChIKeyUYWGDLKXJYEHDQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.67
Rot. Bonds5

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

1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide (PubChem CID 7620412) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide
PubChem CID7620412
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide
SMILESC=CCNC(=O)c1cc2cccnc2n(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C20H19N3O2/c1-3-10-22-19(24)17-12-16-5-4-11-21-18(16)23(20(17)25)13-15-8-6-14(2)7-9-15/h3-9,11-12H,1,10,13H2,2H3,(H,22,24)
InChIKeyUYWGDLKXJYEHDQ-UHFFFAOYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620472
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
1-[(4-methylphenyl)methyl]-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7620499
N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620423
1-[(4-methylphenyl)methyl]-N-(4-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620583
1-ethyl-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619808
N-(2-ethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620518
N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620565
1-[(4-methylphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 43995954
1-[(4-methylphenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 7620348
N-[2-(3-methoxyphenyl)ethyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996030

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide (CID 7620412) is 1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide is C=CCNC(=O)c1cc2cccnc2n(Cc2ccc(C)cc2)c1=O.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is UYWGDLKXJYEHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-3-10-22-19(24)17-12-16-5-4-11-21-18(16)23(20(17)25)13-15-8-6-14(2)7-9-15/h3-9,11-12H,1,10,13H2,2H3,(H,22,24).
What are the key properties of 1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide?
1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).