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

C13H13ClN2O3 — CID 111519619

IUPAC3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
SMILESCC(O)(CNC(=O)c1ccncc1Cl)c1ccco1
InChIInChI=1S/C13H13ClN2O3/c1-13(18,11-3-2-6-19-11)8-16-12(17)9-4-5-15-7-10(9)14/h2-7,18H,8H2,1H3,(H,16,17)
InChIKeyHMHUGCOQXPLACR-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.97
Rot. Bonds4

About 3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide

3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide (PubChem CID 111519619) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
PubChem CID111519619
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
SMILESCC(O)(CNC(=O)c1ccncc1Cl)c1ccco1
InChIInChI=1S/C13H13ClN2O3/c1-13(18,11-3-2-6-19-11)8-16-12(17)9-4-5-15-7-10(9)14/h2-7,18H,8H2,1H3,(H,16,17)
InChIKeyHMHUGCOQXPLACR-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

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Related Compounds

2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 111481899
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-5-methylsulfanylbenzamide
CID 97321033
5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111482154
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
3-chloro-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115667227
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide
CID 111481964
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide
CID 71782562
N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
CID 121085807
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea
CID 111473834

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide (CID 111519619) is 3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide is CC(O)(CNC(=O)c1ccncc1Cl)c1ccco1.
What is the InChIKey of 3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
The InChIKey is HMHUGCOQXPLACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-13(18,11-3-2-6-19-11)8-16-12(17)9-4-5-15-7-10(9)14/h2-7,18H,8H2,1H3,(H,16,17).
What are the key properties of 3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide?
3-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 3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide is sourced from PubChem (CID 111519619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).