4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C11H13ClN2O2 — CID 81225863

IUPAC4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cnccc1Cl
InChIInChI=1S/C11H13ClN2O2/c12-10-3-4-13-7-9(10)11(15)14-6-8-2-1-5-16-8/h3-4,7-8H,1-2,5-6H2,(H,14,15)
InChIKeyGDIABUMNUXQVGN-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.64
Rot. Bonds3

About 4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 81225863) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID81225863
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cnccc1Cl
InChIInChI=1S/C11H13ClN2O2/c12-10-3-4-13-7-9(10)11(15)14-6-8-2-1-5-16-8/h3-4,7-8H,1-2,5-6H2,(H,14,15)
InChIKeyGDIABUMNUXQVGN-UHFFFAOYSA-N
XLogP1.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236289
3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 105068087
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068089
1-chloro-N-(oxolan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765879
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922681
3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 71861546
4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
CID 81233110
4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425082
5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 81225863) is 4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is GDIABUMNUXQVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-3-4-13-7-9(10)11(15)14-6-8-2-1-5-16-8/h3-4,7-8H,1-2,5-6H2,(H,14,15).
What are the key properties of 4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81225863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).