N-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide

C19H23F6N3O — CID 51956247

IUPACN-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccnc1N1CCCCC1
InChIInChI=1S/C19H23F6N3O/c20-18(21,22)12-9-13(19(23,24)25)11-14(10-12)27-17(29)15-5-4-6-26-16(15)28-7-2-1-3-8-28/h4-6,12-14H,1-3,7-11H2,(H,27,29)/t12-,13+,14?
InChIKeyZZWSLTHWFNOXBV-PBWFPOADSA-N
MW423.40 g/mol
LogP4.71
Rot. Bonds3

About N-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide

N-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 51956247) has the molecular formula C19H23F6N3O and a molecular weight of 423.40 g/mol. Its IUPAC name is N-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID51956247
Molecular FormulaC19H23F6N3O
Molecular Weight423.40 g/mol
Exact Mass423.17
IUPAC NameN-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccnc1N1CCCCC1
InChIInChI=1S/C19H23F6N3O/c20-18(21,22)12-9-13(19(23,24)25)11-14(10-12)27-17(29)15-5-4-6-26-16(15)28-7-2-1-3-8-28/h4-6,12-14H,1-3,7-11H2,(H,27,29)/t12-,13+,14?
InChIKeyZZWSLTHWFNOXBV-PBWFPOADSA-N
XLogP4.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119458333
6-(azepan-1-yl)-N-[(3S,5S)-3,5-bis(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 37319301
2-piperidin-1-yl-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119426882
N-piperidin-3-yl-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119427810
N-cyclopropyl-2-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 53015810
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 47062568
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
N-(2-methylpiperidin-3-yl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 120577474
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 84574711

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide (CID 51956247) is N-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide is O=C(NC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccnc1N1CCCCC1.
What is the InChIKey of N-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is ZZWSLTHWFNOXBV-PBWFPOADSA-N. The full InChI is InChI=1S/C19H23F6N3O/c20-18(21,22)12-9-13(19(23,24)25)11-14(10-12)27-17(29)15-5-4-6-26-16(15)28-7-2-1-3-8-28/h4-6,12-14H,1-3,7-11H2,(H,27,29)/t12-,13+,14?.
What are the key properties of N-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide?
N-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 51956247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).