2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide

C15H22N2O — CID 138572207

IUPAC2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESCC1CCCC(C)(C)C1C(=O)Nc1ccncc1
InChIInChI=1S/C15H22N2O/c1-11-5-4-8-15(2,3)13(11)14(18)17-12-6-9-16-10-7-12/h6-7,9-11,13H,4-5,8H2,1-3H3,(H,16,17,18)
InChIKeyCQSZKFDPPUAQSY-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.48
Rot. Bonds2

About 2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide

2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 138572207) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID138572207
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESCC1CCCC(C)(C)C1C(=O)Nc1ccncc1
InChIInChI=1S/C15H22N2O/c1-11-5-4-8-15(2,3)13(11)14(18)17-12-6-9-16-10-7-12/h6-7,9-11,13H,4-5,8H2,1-3H3,(H,16,17,18)
InChIKeyCQSZKFDPPUAQSY-UHFFFAOYSA-N
XLogP3.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[[(1R,6S)-2,2,6-trimethylcyclohexanecarbonyl]amino]benzoate
CID 142560538
N,2,2,6-tetramethylcyclohexane-1-carboxamide
CID 66694446
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
trans-(1R,6S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
CID 142560535
(1S)-N-(2-hydroxy-2-phenylethyl)-2,2,6-trimethylcyclohexane-1-carboxamide
CID 160693339
(6S)-2,2,6-trimethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 138571916
2-hydroxy-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 110013769
(1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 161110122
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
(1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 18644147
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 47141132
4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 102628272

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 138572207) is 2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide is CC1CCCC(C)(C)C1C(=O)Nc1ccncc1.
What is the InChIKey of 2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is CQSZKFDPPUAQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-4-8-15(2,3)13(11)14(18)17-12-6-9-16-10-7-12/h6-7,9-11,13H,4-5,8H2,1-3H3,(H,16,17,18).
What are the key properties of 2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide?
2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 138572207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).