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

C16H16N2O5 — CID 120535956

IUPAC3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid
SMILESO=C(NC(CC1CC1)C(=O)O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C16H16N2O5/c19-14-10(5-6-11(17-14)13-2-1-7-23-13)15(20)18-12(16(21)22)8-9-3-4-9/h1-2,5-7,9,12H,3-4,8H2,(H,17,19)(H,18,20)(H,21,22)
InChIKeyHBPOZOUQVHVBLD-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.62
Rot. Bonds6

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

3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 120535956) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid
PubChem CID120535956
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid
SMILESO=C(NC(CC1CC1)C(=O)O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C16H16N2O5/c19-14-10(5-6-11(17-14)13-2-1-7-23-13)15(20)18-12(16(21)22)8-9-3-4-9/h1-2,5-7,9,12H,3-4,8H2,(H,17,19)(H,18,20)(H,21,22)
InChIKeyHBPOZOUQVHVBLD-UHFFFAOYSA-N
XLogP1.62
TPSA112.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 138041587
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-[(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
4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120530186
6-(furan-2-yl)-N-(3-methylbutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47459019
6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide
CID 86858643
N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119619648
N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 119495794
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977473
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977432
6-(furan-2-yl)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 95977410

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid (CID 120535956) is 3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid is O=C(NC(CC1CC1)C(=O)O)c1ccc(-c2ccco2)[nH]c1=O.
What is the InChIKey of 3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is HBPOZOUQVHVBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c19-14-10(5-6-11(17-14)13-2-1-7-23-13)15(20)18-12(16(21)22)8-9-3-4-9/h1-2,5-7,9,12H,3-4,8H2,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid?
3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 316.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120535956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).