6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide

C14H17F3N2O — CID 52501616

IUPAC6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)cn1
InChIInChI=1S/C14H17F3N2O/c1-9-6-7-10(8-18-9)13(20)19-12-5-3-2-4-11(12)14(15,16)17/h6-8,11-12H,2-5H2,1H3,(H,19,20)/t11-,12+/m1/s1
InChIKeyMZUANWRWXDELKA-NEPJUHHUSA-N
MW286.30 g/mol
LogP3.24
Rot. Bonds2

About 6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide

6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 52501616) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID52501616
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)cn1
InChIInChI=1S/C14H17F3N2O/c1-9-6-7-10(8-18-9)13(20)19-12-5-3-2-4-11(12)14(15,16)17/h6-8,11-12H,2-5H2,1H3,(H,19,20)/t11-,12+/m1/s1
InChIKeyMZUANWRWXDELKA-NEPJUHHUSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43712748
3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205
4-(cyclopropanecarbonylamino)-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55534252
2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 103754162
N-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 62359230
4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 63188254
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-6-methylpyridine-3-carboxamide
CID 155996088
6-methyl-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide
CID 73011269
2-fluoro-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 79765205
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292
6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 10013611
2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid
CID 120532910

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide (CID 52501616) is 6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide is Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)cn1.
What is the InChIKey of 6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is MZUANWRWXDELKA-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-9-6-7-10(8-18-9)13(20)19-12-5-3-2-4-11(12)14(15,16)17/h6-8,11-12H,2-5H2,1H3,(H,19,20)/t11-,12+/m1/s1.
What are the key properties of 6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 52501616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).