6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid

C11H12N2O3 — CID 155093248

IUPAC6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
SMILESCC(=O)c1ccc2c(n1)CCCN2C(=O)O
InChIInChI=1S/C11H12N2O3/c1-7(14)8-4-5-10-9(12-8)3-2-6-13(10)11(15)16/h4-5H,2-3,6H2,1H3,(H,15,16)
InChIKeyMFFUGKGYTPEQMK-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.71
Rot. Bonds1

About 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid

6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid (PubChem CID 155093248) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
PubChem CID155093248
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
SMILESCC(=O)c1ccc2c(n1)CCCN2C(=O)O
InChIInChI=1S/C11H12N2O3/c1-7(14)8-4-5-10-9(12-8)3-2-6-13(10)11(15)16/h4-5H,2-3,6H2,1H3,(H,15,16)
InChIKeyMFFUGKGYTPEQMK-UHFFFAOYSA-N
XLogP1.71
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
CID 155093131
2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid
CID 138374174
6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
CID 155093205
2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid
CID 155390785
ethyl 6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 90757804
6-(1-cyano-3-phenylmethoxycyclobutyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
CID 155093238
1-(8-pyrrolidin-1-ylquinolin-2-yl)ethanone
CID 70440018
12-(1-methylpyrazol-4-yl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3-carboxylic acid
CID 134328738
12-bromo-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3-carboxylic acid
CID 122540226
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
4-acetyl-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid
CID 167728963
7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid
CID 68509915

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?
The IUPAC name of 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid (CID 155093248) is 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid.
What is the SMILES notation for 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?
The canonical SMILES for 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid is CC(=O)c1ccc2c(n1)CCCN2C(=O)O.
What is the InChIKey of 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?
The InChIKey is MFFUGKGYTPEQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7(14)8-4-5-10-9(12-8)3-2-6-13(10)11(15)16/h4-5H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?
6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid is sourced from PubChem (CID 155093248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).