6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide

C12H15ClN2O2 — CID 168678064

IUPAC6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCc1nc(Cl)ccc1C(=O)NC1CCOCC1
InChIInChI=1S/C12H15ClN2O2/c1-8-10(2-3-11(13)14-8)12(16)15-9-4-6-17-7-5-9/h2-3,9H,4-7H2,1H3,(H,15,16)
InChIKeyOPTOCFMBHHLOJZ-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.95
Rot. Bonds2

About 6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide

6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 168678064) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID168678064
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCc1nc(Cl)ccc1C(=O)NC1CCOCC1
InChIInChI=1S/C12H15ClN2O2/c1-8-10(2-3-11(13)14-8)12(16)15-9-4-6-17-7-5-9/h2-3,9H,4-7H2,1H3,(H,15,16)
InChIKeyOPTOCFMBHHLOJZ-UHFFFAOYSA-N
XLogP1.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.95
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
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
6-chloro-N-cyclohexyl-2-morpholin-4-ylpyridine-3-carboxamide
CID 59830624
N-(4-hydroxycyclohexyl)-2,6-dimethylpyridine-3-carboxamide
CID 60924495
4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride
CID 119724858
5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 55046977
6-chloro-N-ethyl-2-methylpyridine-3-carboxamide
CID 130963544
6-chloro-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-8-carboxamide
CID 89419981
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
N-(oxan-4-yl)-2-propan-2-ylbenzamide
CID 177167403
6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
CID 121374799
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide (CID 168678064) is 6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide is Cc1nc(Cl)ccc1C(=O)NC1CCOCC1.
What is the InChIKey of 6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is OPTOCFMBHHLOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-10(2-3-11(13)14-8)12(16)15-9-4-6-17-7-5-9/h2-3,9H,4-7H2,1H3,(H,15,16).
What are the key properties of 6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide?
6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 168678064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).