6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide

C11H13ClN2O2 — CID 82726478

IUPAC6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
SMILESCC1OCCC1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O2/c1-7-9(4-5-16-7)14-11(15)8-2-3-10(12)13-6-8/h2-3,6-7,9H,4-5H2,1H3,(H,14,15)
InChIKeyAZGYWRGUVOLIGG-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.64
Rot. Bonds2

About 6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide

6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide (PubChem CID 82726478) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
PubChem CID82726478
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
SMILESCC1OCCC1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O2/c1-7-9(4-5-16-7)14-11(15)8-2-3-10(12)13-6-8/h2-3,6-7,9H,4-5H2,1H3,(H,14,15)
InChIKeyAZGYWRGUVOLIGG-UHFFFAOYSA-N
XLogP1.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 114918773
6-chloro-N-(2-methyloxolan-3-yl)pyridazine-3-carboxamide
CID 82726377
3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 103872396
2-chloro-N-(2-methyloxolan-3-yl)furan-3-carboxamide
CID 106687114
4-cyano-N-(2-methyloxolan-3-yl)benzamide
CID 82729229
4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide
CID 82725520
4-chloro-N-(2-methyloxolan-3-yl)pyridine-2-carboxamide
CID 82725262
4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 115868342
6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide
CID 104578722
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629337
methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617107
6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 47375161

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide (CID 82726478) is 6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide is CC1OCCC1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide?
The InChIKey is AZGYWRGUVOLIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7-9(4-5-16-7)14-11(15)8-2-3-10(12)13-6-8/h2-3,6-7,9H,4-5H2,1H3,(H,14,15).
What are the key properties of 6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide?
6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 82726478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).