N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide

C13H15F3N2O — CID 764833

IUPACN-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccncc1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-2-1-3-11(8-10)18-12(19)9-4-6-17-7-5-9/h4-7,10-11H,1-3,8H2,(H,18,19)/t10-,11+/m1/s1
InChIKeyVRVJDLATQDYPFG-MNOVXSKESA-N
MW272.27 g/mol
LogP2.93
Rot. Bonds2

About N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide

N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide (PubChem CID 764833) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
PubChem CID764833
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccncc1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-2-1-3-11(8-10)18-12(19)9-4-6-17-7-5-9/h4-7,10-11H,1-3,8H2,(H,18,19)/t10-,11+/m1/s1
InChIKeyVRVJDLATQDYPFG-MNOVXSKESA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 97185005
N-cyclopentylpyridine-4-carboxamide
CID 4212000
5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 124702553
N-cyclohexylpyridine-4-carboxamide
CID 3436730
4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide
CID 99783439
N-[(1R,3R)-3-fluorocyclopentyl]pyridine-4-carboxamide
CID 129348302
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710
N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
CID 18147759
6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103875087
N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86925196

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide (CID 764833) is N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide is O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccncc1.
What is the InChIKey of N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide?
The InChIKey is VRVJDLATQDYPFG-MNOVXSKESA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)10-2-1-3-11(8-10)18-12(19)9-4-6-17-7-5-9/h4-7,10-11H,1-3,8H2,(H,18,19)/t10-,11+/m1/s1.
What are the key properties of N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide?
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide has a molecular weight of 272.27 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 764833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).