2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide

C13H17ClN2O2 — CID 102631830

IUPAC2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Cl)c1)C1CCCCC1O
InChIInChI=1S/C13H17ClN2O2/c1-16(10-4-2-3-5-11(10)17)13(18)9-6-7-15-12(14)8-9/h6-8,10-11,17H,2-5H2,1H3
InChIKeyQMAUNHSERUQZET-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.11
Rot. Bonds2

About 2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide

2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide (PubChem CID 102631830) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide
PubChem CID102631830
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Cl)c1)C1CCCCC1O
InChIInChI=1S/C13H17ClN2O2/c1-16(10-4-2-3-5-11(10)17)13(18)9-6-7-15-12(14)8-9/h6-8,10-11,17H,2-5H2,1H3
InChIKeyQMAUNHSERUQZET-UHFFFAOYSA-N
XLogP2.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.11
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-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide
CID 43611005
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102824414
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
3-chloro-4-ethoxy-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 95875729
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 60725190
N-(2-hydroxycyclohexyl)-4-methoxy-N,3-dimethylbenzamide
CID 56922697
N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide
CID 95877860
5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 102636771
N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
CID 107036646
2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid
CID 102632507

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide (CID 102631830) is 2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccnc(Cl)c1)C1CCCCC1O.
What is the InChIKey of 2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide?
The InChIKey is QMAUNHSERUQZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16(10-4-2-3-5-11(10)17)13(18)9-6-7-15-12(14)8-9/h6-8,10-11,17H,2-5H2,1H3.
What are the key properties of 2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide?
2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 102631830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).