N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C13H14N2O3 — CID 94022833

IUPACN-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H](Cc1ccco1)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H14N2O3/c1-9(8-10-4-3-7-18-10)15-13(17)11-5-2-6-14-12(11)16/h2-7,9H,8H2,1H3,(H,14,16)(H,15,17)/t9-/m0/s1
InChIKeyDGCWTXGJVQSSOD-VIFPVBQESA-N
MW246.27 g/mol
LogP1.33
Rot. Bonds4

About N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 94022833) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID94022833
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H](Cc1ccco1)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H14N2O3/c1-9(8-10-4-3-7-18-10)15-13(17)11-5-2-6-14-12(11)16/h2-7,9H,8H2,1H3,(H,14,16)(H,15,17)/t9-/m0/s1
InChIKeyDGCWTXGJVQSSOD-VIFPVBQESA-N
XLogP1.33
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18116946
N-[1-(furan-2-yl)propan-2-yl]-1H-indole-3-carboxamide
CID 61043525
2-(ethylamino)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 62179091
2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide
CID 113338814
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
4-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-sulfanylbenzamide
CID 107025104
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-hydroxybenzamide
CID 47168819
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
CID 47168762
2-[(4-chlorophenyl)sulfonylamino]-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 55620142

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 94022833) is N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is C[C@@H](Cc1ccco1)NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DGCWTXGJVQSSOD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9(8-10-4-3-7-18-10)15-13(17)11-5-2-6-14-12(11)16/h2-7,9H,8H2,1H3,(H,14,16)(H,15,17)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 94022833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).