4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid

C15H16N2O5 — CID 119346844

IUPAC4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C15H16N2O5/c1-17(8-2-5-13(18)19)15(21)10-6-7-11(16-14(10)20)12-4-3-9-22-12/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyGTNXOHUNRJXFEL-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.57
Rot. Bonds6

About 4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid

4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid (PubChem CID 119346844) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid
PubChem CID119346844
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C15H16N2O5/c1-17(8-2-5-13(18)19)15(21)10-6-7-11(16-14(10)20)12-4-3-9-22-12/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyGTNXOHUNRJXFEL-UHFFFAOYSA-N
XLogP1.57
TPSA103.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(furan-2-yl)-N-(3-hydroxybutyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 111695848
4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid
CID 119172991
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977473
N-(2-hydroxyethyl)-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 110893883
6-(furan-2-yl)-N-(3-methylbutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47459019
N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 119495794
N-ethyl-6-(furan-2-yl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95977442
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
4-[(2-hydroxy-4-methylbenzoyl)-methylamino]butanoic acid
CID 43151825
2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid
CID 120517072
6-(furan-2-yl)-N-[(2S,3R)-1-hydroxy-3-phenylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 97255840
6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125139391

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid (CID 119346844) is 4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)c1ccc(-c2ccco2)[nH]c1=O.
What is the InChIKey of 4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid?
The InChIKey is GTNXOHUNRJXFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-17(8-2-5-13(18)19)15(21)10-6-7-11(16-14(10)20)12-4-3-9-22-12/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid?
4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid has a molecular weight of 304.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid is sourced from PubChem (CID 119346844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).