2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide

C13H13ClN2O3 — CID 111482264

IUPAC2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
SMILESCC(O)(CNC(=O)c1ccnc(Cl)c1)c1ccco1
InChIInChI=1S/C13H13ClN2O3/c1-13(18,10-3-2-6-19-10)8-16-12(17)9-4-5-15-11(14)7-9/h2-7,18H,8H2,1H3,(H,16,17)
InChIKeyQFGBAXLQNWAWMY-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.97
Rot. Bonds4

About 2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide

2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide (PubChem CID 111482264) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
PubChem CID111482264
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
SMILESCC(O)(CNC(=O)c1ccnc(Cl)c1)c1ccco1
InChIInChI=1S/C13H13ClN2O3/c1-13(18,10-3-2-6-19-10)8-16-12(17)9-4-5-15-11(14)7-9/h2-7,18H,8H2,1H3,(H,16,17)
InChIKeyQFGBAXLQNWAWMY-UHFFFAOYSA-N
XLogP1.97
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 111912291
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104877898
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide
CID 111483981
3-[(2-chloropyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 103791321
3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111519619
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 111481899
N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
CID 71782534
5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111482154

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide (CID 111482264) is 2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide is CC(O)(CNC(=O)c1ccnc(Cl)c1)c1ccco1.
What is the InChIKey of 2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
The InChIKey is QFGBAXLQNWAWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-13(18,10-3-2-6-19-10)8-16-12(17)9-4-5-15-11(14)7-9/h2-7,18H,8H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide has a molecular weight of 280.71 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide is sourced from PubChem (CID 111482264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).