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

C20H25N3O4 — CID 118719597

IUPAC4-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]butanoic acid
SMILESCC1CCC(NC(=O)c2cc3cccnc3n(CCCC(=O)O)c2=O)CC1
InChIInChI=1S/C20H25N3O4/c1-13-6-8-15(9-7-13)22-19(26)16-12-14-4-2-10-21-18(14)23(20(16)27)11-3-5-17(24)25/h2,4,10,12-13,15H,3,5-9,11H2,1H3,(H,22,26)(H,24,25)
InChIKeyMLNSDEROSCBNFA-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.57
Rot. Bonds6

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

4-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]butanoic acid (PubChem CID 118719597) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]butanoic acid
PubChem CID118719597
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name4-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]butanoic acid
SMILESCC1CCC(NC(=O)c2cc3cccnc3n(CCCC(=O)O)c2=O)CC1
InChIInChI=1S/C20H25N3O4/c1-13-6-8-15(9-7-13)22-19(26)16-12-14-4-2-10-21-18(14)23(20(16)27)11-3-5-17(24)25/h2,4,10,12-13,15H,3,5-9,11H2,1H3,(H,22,26)(H,24,25)
InChIKeyMLNSDEROSCBNFA-UHFFFAOYSA-N
XLogP2.57
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.57
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
1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719600
3-[3-(4-Methylbenzyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl]propanoic acid
CID 23602530
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-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
1-Benzyl-4-hydroxy-2-oxo-1,2-dihydro-[1,8]-naphthyridine-3-carboxylic Acid Cyclohexylamide
CID 59699565
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 90644681

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]butanoic acid?
The IUPAC name of 4-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]butanoic acid (CID 118719597) is 4-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]butanoic acid.
What is the SMILES notation for 4-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]butanoic acid?
The canonical SMILES for 4-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]butanoic acid is CC1CCC(NC(=O)c2cc3cccnc3n(CCCC(=O)O)c2=O)CC1.
What is the InChIKey of 4-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]butanoic acid?
The InChIKey is MLNSDEROSCBNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-6-8-15(9-7-13)22-19(26)16-12-14-4-2-10-21-18(14)23(20(16)27)11-3-5-17(24)25/h2,4,10,12-13,15H,3,5-9,11H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 4-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]butanoic acid?
4-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]butanoic acid has a molecular weight of 371.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]butanoic acid is sourced from PubChem (CID 118719597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).