2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C19H19N3O2 — CID 169256277

IUPAC2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCCc1cc(-c2cc(=O)c3c(C(N)=O)nccc3[nH]2)c(C)cc1C
InChIInChI=1S/C19H19N3O2/c1-4-12-8-13(11(3)7-10(12)2)15-9-16(23)17-14(22-15)5-6-21-18(17)19(20)24/h5-9H,4H2,1-3H3,(H2,20,24)(H,22,23)
InChIKeyMJVKLSHETIHERE-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.87
Rot. Bonds3

About 2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 169256277) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID169256277
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCCc1cc(-c2cc(=O)c3c(C(N)=O)nccc3[nH]2)c(C)cc1C
InChIInChI=1S/C19H19N3O2/c1-4-12-8-13(11(3)7-10(12)2)15-9-16(23)17-14(22-15)5-6-21-18(17)19(20)24/h5-9H,4H2,1-3H3,(H2,20,24)(H,22,23)
InChIKeyMJVKLSHETIHERE-UHFFFAOYSA-N
XLogP2.87
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 169256277) is 2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is CCc1cc(-c2cc(=O)c3c(C(N)=O)nccc3[nH]2)c(C)cc1C.
What is the InChIKey of 2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is MJVKLSHETIHERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-4-12-8-13(11(3)7-10(12)2)15-9-16(23)17-14(22-15)5-6-21-18(17)19(20)24/h5-9H,4H2,1-3H3,(H2,20,24)(H,22,23).
What are the key properties of 2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 169256277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).