6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid

C16H16N2O2 — CID 46839896

IUPAC6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1ccc2c(n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C16H16N2O2/c19-16(20)15-7-6-13-11-18(9-8-14(13)17-15)10-12-4-2-1-3-5-12/h1-7H,8-11H2,(H,19,20)
InChIKeyNCPNSYDXGVRYAJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.34
Rot. Bonds3

About 6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid

6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid (PubChem CID 46839896) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
PubChem CID46839896
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1ccc2c(n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C16H16N2O2/c19-16(20)15-7-6-13-11-18(9-8-14(13)17-15)10-12-4-2-1-3-5-12/h1-7H,8-11H2,(H,19,20)
InChIKeyNCPNSYDXGVRYAJ-UHFFFAOYSA-N
XLogP2.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)methylcarbamic acid
CID 22335219
6-benzyl-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 22335156
2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid
CID 82588919
6-benzyl-2-methylsulfanyl-5,7,8,9-tetrahydropyrido[3,2-c]azepine
CID 70857995
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)quinoline-2-carboxamide
CID 16547092
CID 172756163
CID 172756163
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
CID 44827183
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 39159965
7-benzyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine
CID 71304006
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8850262
5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid
CID 117213210
6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442519

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid?
The IUPAC name of 6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid (CID 46839896) is 6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid?
The canonical SMILES for 6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid is O=C(O)c1ccc2c(n1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid?
The InChIKey is NCPNSYDXGVRYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(20)15-7-6-13-11-18(9-8-14(13)17-15)10-12-4-2-1-3-5-12/h1-7H,8-11H2,(H,19,20).
What are the key properties of 6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid?
6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 46839896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).