6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid

C18H18FN3O3 — CID 155093205

IUPAC6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
SMILESCC(C(=O)Nc1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)O
InChIInChI=1S/C18H18FN3O3/c1-11(17(23)20-13-6-4-12(19)5-7-13)14-8-9-16-15(21-14)3-2-10-22(16)18(24)25/h4-9,11H,2-3,10H2,1H3,(H,20,23)(H,24,25)
InChIKeyKUJLUDNHDRPNEY-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.39
Rot. Bonds3

About 6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid

6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid (PubChem CID 155093205) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
PubChem CID155093205
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
SMILESCC(C(=O)Nc1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)O
InChIInChI=1S/C18H18FN3O3/c1-11(17(23)20-13-6-4-12(19)5-7-13)14-8-9-16-15(21-14)3-2-10-22(16)18(24)25/h4-9,11H,2-3,10H2,1H3,(H,20,23)(H,24,25)
InChIKeyKUJLUDNHDRPNEY-UHFFFAOYSA-N
XLogP3.39
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid with MolForge

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Related Compounds

N-[1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]-4-fluorobenzamide
CID 142580536
2-phenoxypropyl 6-[1-(4-fluoroanilino)ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 155093167
6-acetyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
CID 155093248
cyclobutyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580114
cyclopentyl 6-[1-[(4-fluorobenzoyl)amino]ethyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580192
4-fluoro-N-[1-[5-(4-fluoropyridine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
CID 142580167
3-(4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 67508161
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
tert-butyl 6-[3-[(4-fluorophenyl)carbamoyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 155093209
cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580380
2-[5-(3-chlorobenzoyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(4-fluorophenyl)-2-methylpropanamide
CID 142580161
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?
The IUPAC name of 6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid (CID 155093205) is 6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid.
What is the SMILES notation for 6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?
The canonical SMILES for 6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid is CC(C(=O)Nc1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)O.
What is the InChIKey of 6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?
The InChIKey is KUJLUDNHDRPNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-11(17(23)20-13-6-4-12(19)5-7-13)14-8-9-16-15(21-14)3-2-10-22(16)18(24)25/h4-9,11H,2-3,10H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid?
6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid has a molecular weight of 343.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid is sourced from PubChem (CID 155093205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).