6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide

C11H13ClN2O2 — CID 121374799

IUPAC6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
SMILESCc1cc(Cl)ncc1C(=O)N[C@H]1CCOC1
InChIInChI=1S/C11H13ClN2O2/c1-7-4-10(12)13-5-9(7)11(15)14-8-2-3-16-6-8/h4-5,8H,2-3,6H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyQLRVAOUFVCGRQI-QMMMGPOBSA-N
MW240.69 g/mol
LogP1.56
Rot. Bonds2

About 6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide

6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide (PubChem CID 121374799) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
PubChem CID121374799
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
SMILESCc1cc(Cl)ncc1C(=O)N[C@H]1CCOC1
InChIInChI=1S/C11H13ClN2O2/c1-7-4-10(12)13-5-9(7)11(15)14-8-2-3-16-6-8/h4-5,8H,2-3,6H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyQLRVAOUFVCGRQI-QMMMGPOBSA-N
XLogP1.56
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 ≤ 51.56
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

6-chloro-2-methyl-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 168678063
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
2-hydroxy-5-methyl-N-(oxolan-3-yl)benzamide
CID 80712573
2-amino-4-chloro-N-(oxolan-3-yl)benzamide
CID 80717146
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
4-amino-6-chloro-N-cyclopropylpyridine-3-carboxamide
CID 156880832
4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 159995696
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 168678064
5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide
CID 118356988
2-chloro-N-(oxan-3-yl)furan-3-carboxamide
CID 130173637

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide (CID 121374799) is 6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide is Cc1cc(Cl)ncc1C(=O)N[C@H]1CCOC1.
What is the InChIKey of 6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
The InChIKey is QLRVAOUFVCGRQI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7-4-10(12)13-5-9(7)11(15)14-8-2-3-16-6-8/h4-5,8H,2-3,6H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of 6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide?
6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121374799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).