6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide

C19H21ClN2O — CID 134022024

IUPAC6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(Cl)nc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O/c1-22(19(23)16-9-12-18(20)21-13-16)17-10-7-15(8-11-17)14-5-3-2-4-6-14/h2-6,9,12-13,15,17H,7-8,10-11H2,1H3
InChIKeyJQHKYAKUZMZRFF-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.53
Rot. Bonds3

About 6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide

6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide (PubChem CID 134022024) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide
PubChem CID134022024
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(Cl)nc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O/c1-22(19(23)16-9-12-18(20)21-13-16)17-10-7-15(8-11-17)14-5-3-2-4-6-14/h2-6,9,12-13,15,17H,7-8,10-11H2,1H3
InChIKeyJQHKYAKUZMZRFF-UHFFFAOYSA-N
XLogP4.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide
CID 19381387
6-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
CID 60724487
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide
CID 55588344
5-[methyl-(4-methylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 60725247
methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate
CID 55774982
[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799605
N-methyl-N-(1-methylpiperidin-4-yl)-6-phenylpyridine-3-carboxamide
CID 42802995
(6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone
CID 116505677
N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide
CID 60738184
6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride
CID 159595421
5-bromo-6-chloro-N-cyclopropyl-N-methylpyridine-3-carboxamide
CID 130550487
N-methyl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134026117

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide (CID 134022024) is 6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide is CN(C(=O)c1ccc(Cl)nc1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is JQHKYAKUZMZRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-22(19(23)16-9-12-18(20)21-13-16)17-10-7-15(8-11-17)14-5-3-2-4-6-14/h2-6,9,12-13,15,17H,7-8,10-11H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide?
6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 328.84 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 134022024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).