6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide

C20H20N4O4 — CID 86858643

IUPAC6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)cc1
InChIInChI=1S/C20H20N4O4/c1-12(2)21-20(27)23-14-7-5-13(6-8-14)22-18(25)15-9-10-16(24-19(15)26)17-4-3-11-28-17/h3-12H,1-2H3,(H,22,25)(H,24,26)(H2,21,23,27)
InChIKeySWHQQNMYSXPCNV-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.42
Rot. Bonds5

About 6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide

6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide (PubChem CID 86858643) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide
PubChem CID86858643
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)cc1
InChIInChI=1S/C20H20N4O4/c1-12(2)21-20(27)23-14-7-5-13(6-8-14)22-18(25)15-9-10-16(24-19(15)26)17-4-3-11-28-17/h3-12H,1-2H3,(H,22,25)(H,24,26)(H2,21,23,27)
InChIKeySWHQQNMYSXPCNV-UHFFFAOYSA-N
XLogP3.42
TPSA116.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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-(3-methylbutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47459019
6-(furan-2-yl)-N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 56821017
N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 119495794
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
N-(1-amino-2,3-dimethylbutan-2-yl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119606209
3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 120535956
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977473
6-(furan-2-yl)-2-oxo-N-(3-prop-2-ynoxyphenyl)-1H-pyridine-3-carboxamide
CID 56783759
6-(furan-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95977420
2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-methylpentanoic acid
CID 120517072

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide (CID 86858643) is 6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide is CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)cc1.
What is the InChIKey of 6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide?
The InChIKey is SWHQQNMYSXPCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-12(2)21-20(27)23-14-7-5-13(6-8-14)22-18(25)15-9-10-16(24-19(15)26)17-4-3-11-28-17/h3-12H,1-2H3,(H,22,25)(H,24,26)(H2,21,23,27).
What are the key properties of 6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide?
6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 86858643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).