6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid

C16H16N2O3 — CID 15282143

IUPAC6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c1=O)CCN(Cc1ccccc1)C2
InChIInChI=1S/C16H16N2O3/c19-15-13(16(20)21)8-12-10-18(7-6-14(12)17-15)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,17,19)(H,20,21)
InChIKeyRYUQENSIGWALAD-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.63
Rot. Bonds3

About 6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid

6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid (PubChem CID 15282143) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid
PubChem CID15282143
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c1=O)CCN(Cc1ccccc1)C2
InChIInChI=1S/C16H16N2O3/c19-15-13(16(20)21)8-12-10-18(7-6-14(12)17-15)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,17,19)(H,20,21)
InChIKeyRYUQENSIGWALAD-UHFFFAOYSA-N
XLogP1.63
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 135710995
N-[(1-benzylpiperidin-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 136524582
6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one
CID 146160543
3,6-dibenzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
CID 19423339
6-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
CID 166250761
benzyl 3-amino-2-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxylate
CID 137491010
1-benzyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 79014884
2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 21231097
(E)-3-(6-ethyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-2-enoic acid
CID 82521693
2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid
CID 82588919
2,6-dibenzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373232
2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
CID 171552374

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid (CID 15282143) is 6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid is O=C(O)c1cc2c([nH]c1=O)CCN(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is RYUQENSIGWALAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15-13(16(20)21)8-12-10-18(7-6-14(12)17-15)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,17,19)(H,20,21).
What are the key properties of 6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid?
6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 15282143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).