2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid

C16H18N2O5 — CID 120517072

IUPAC2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(-c2ccco2)[nH]c1=O)C(=O)O
InChIInChI=1S/C16H18N2O5/c1-3-8-16(2,15(21)22)18-14(20)10-6-7-11(17-13(10)19)12-5-4-9-23-12/h4-7,9H,3,8H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyKLEHWKVYUZIWET-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.01
Rot. Bonds6

About 2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid

2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid (PubChem CID 120517072) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid
PubChem CID120517072
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(-c2ccco2)[nH]c1=O)C(=O)O
InChIInChI=1S/C16H18N2O5/c1-3-8-16(2,15(21)22)18-14(20)10-6-7-11(17-13(10)19)12-5-4-9-23-12/h4-7,9H,3,8H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyKLEHWKVYUZIWET-UHFFFAOYSA-N
XLogP2.01
TPSA112.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 113227894
N-(1-amino-2,3-dimethylbutan-2-yl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119606209
6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125139391
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
6-(furan-2-yl)-2-oxo-N-(1-phenyl-5-propylpyrazol-4-yl)-1H-pyridine-3-carboxamide
CID 75454165
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-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 56821017
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977473
4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120530186
6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 119445716
6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 138041587

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid (CID 120517072) is 2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1ccc(-c2ccco2)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid?
The InChIKey is KLEHWKVYUZIWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-3-8-16(2,15(21)22)18-14(20)10-6-7-11(17-13(10)19)12-5-4-9-23-12/h4-7,9H,3,8H2,1-2H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid?
2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid has a molecular weight of 318.33 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 120517072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).