N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide

C15H22N2O — CID 39358749

IUPACN-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
SMILESC[C@H]1C[C@@H](NC(=O)c2cccnc2)CC(C)(C)C1
InChIInChI=1S/C15H22N2O/c1-11-7-13(9-15(2,3)8-11)17-14(18)12-5-4-6-16-10-12/h4-6,10-11,13H,7-9H2,1-3H3,(H,17,18)/t11-,13+/m0/s1
InChIKeyJSMTXWAZNTXBAB-WCQYABFASA-N
MW246.35 g/mol
LogP3.03
Rot. Bonds2

About N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide

N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide (PubChem CID 39358749) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
PubChem CID39358749
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
SMILESC[C@H]1C[C@@H](NC(=O)c2cccnc2)CC(C)(C)C1
InChIInChI=1S/C15H22N2O/c1-11-7-13(9-15(2,3)8-11)17-14(18)12-5-4-6-16-10-12/h4-6,10-11,13H,7-9H2,1-3H3,(H,17,18)/t11-,13+/m0/s1
InChIKeyJSMTXWAZNTXBAB-WCQYABFASA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 1122328
[(1R,5S)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate;hydrate
CID 67947071
4-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673806
N-cyclopentylpyridine-3-carboxamide
CID 805532
2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide
CID 2806551
N-(oxetan-3-yl)pyridine-3-carboxamide
CID 66910448
N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 175209394
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
1-methyl-2-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]-1,8-naphthyridine-3-carboxamide
CID 7619405
3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide
CID 673811
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 2914105

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide (CID 39358749) is N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide is C[C@H]1C[C@@H](NC(=O)c2cccnc2)CC(C)(C)C1.
What is the InChIKey of N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide?
The InChIKey is JSMTXWAZNTXBAB-WCQYABFASA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-7-13(9-15(2,3)8-11)17-14(18)12-5-4-6-16-10-12/h4-6,10-11,13H,7-9H2,1-3H3,(H,17,18)/t11-,13+/m0/s1.
What are the key properties of N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide?
N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 39358749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).