N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide

C14H20N2O — CID 11919862

IUPACN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccccn1
InChIInChI=1S/C14H20N2O/c1-10-6-5-8-12(11(10)2)16-14(17)13-7-3-4-9-15-13/h3-4,7,9-12H,5-6,8H2,1-2H3,(H,16,17)/t10-,11-,12-/m1/s1
InChIKeyCWMQOLYRWYJRRD-IJLUTSLNSA-N
MW232.33 g/mol
LogP2.64
Rot. Bonds2

About N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide (PubChem CID 11919862) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
PubChem CID11919862
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccccn1
InChIInChI=1S/C14H20N2O/c1-10-6-5-8-12(11(10)2)16-14(17)13-7-3-4-9-15-13/h3-4,7,9-12H,5-6,8H2,1-2H3,(H,16,17)/t10-,11-,12-/m1/s1
InChIKeyCWMQOLYRWYJRRD-IJLUTSLNSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776590
N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide
CID 59673793
1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea
CID 8656598
tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 22986749
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide
CID 51969442
N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide
CID 55152154
1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea
CID 47125969
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55762098
N-(2,3-dimethylcyclohexyl)-8-hydroxyquinoline-7-carboxamide
CID 18372471
2-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119943682

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide (CID 11919862) is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide is C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccccn1.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide?
The InChIKey is CWMQOLYRWYJRRD-IJLUTSLNSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-6-5-8-12(11(10)2)16-14(17)13-7-3-4-9-15-13/h3-4,7,9-12H,5-6,8H2,1-2H3,(H,16,17)/t10-,11-,12-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide?
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 11919862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).