3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid

C19H23N3O4 — CID 118719596

IUPAC3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid
SMILESCC1CCC(NC(=O)c2cc3cccnc3n(CCC(=O)O)c2=O)CC1
InChIInChI=1S/C19H23N3O4/c1-12-4-6-14(7-5-12)21-18(25)15-11-13-3-2-9-20-17(13)22(19(15)26)10-8-16(23)24/h2-3,9,11-12,14H,4-8,10H2,1H3,(H,21,25)(H,23,24)
InChIKeyYQUWHIAXYNZEAB-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.18
Rot. Bonds5

About 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid

3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid (PubChem CID 118719596) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid
PubChem CID118719596
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid
SMILESCC1CCC(NC(=O)c2cc3cccnc3n(CCC(=O)O)c2=O)CC1
InChIInChI=1S/C19H23N3O4/c1-12-4-6-14(7-5-12)21-18(25)15-11-13-3-2-9-20-17(13)22(19(15)26)10-8-16(23)24/h2-3,9,11-12,14H,4-8,10H2,1H3,(H,21,25)(H,23,24)
InChIKeyYQUWHIAXYNZEAB-UHFFFAOYSA-N
XLogP2.18
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Methylcyclohexyl)-1-(p-fluorobenzyl)-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157745
1-(4-fluorobenzyl)-4-hydroxy-N-((1r,4r)-4-methylcyclohexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 118735890
N-Cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620725
6-bromo-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 101882735
1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719600
N-(Adamantan-1-yl)-1-(4-fluorobutyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 164946848
1-benzyl-N-cyclohexyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620138
N-cyclohexyl-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620714
N-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 44157583
N-Cyclohexyl-1-butyl-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157661
N-(4-Fluorophenylethyl)-1-benzyl-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157663
N-(4-Methylcyclohexyl)-1-benzyl-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157744

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid?
The IUPAC name of 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid (CID 118719596) is 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid is CC1CCC(NC(=O)c2cc3cccnc3n(CCC(=O)O)c2=O)CC1.
What is the InChIKey of 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid?
The InChIKey is YQUWHIAXYNZEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-4-6-14(7-5-12)21-18(25)15-11-13-3-2-9-20-17(13)22(19(15)26)10-8-16(23)24/h2-3,9,11-12,14H,4-8,10H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid?
3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid has a molecular weight of 357.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid is sourced from PubChem (CID 118719596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).