N-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride

C19H20ClF4N3O — CID 156696017

IUPACN-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
SMILESCc1ccnc(C(=O)N[C@@H]2CCNC[C@@H]2c2ccc(F)cc2)c1C(F)(F)F.Cl
InChIInChI=1S/C19H19F4N3O.ClH/c1-11-6-9-25-17(16(11)19(21,22)23)18(27)26-15-7-8-24-10-14(15)12-2-4-13(20)5-3-12;/h2-6,9,14-15,24H,7-8,10H2,1H3,(H,26,27);1H/t14-,15-;/m1./s1
InChIKeyWKDVCSLCKKWKCL-CTHHTMFSSA-N
MW417.83 g/mol
LogP3.85
Rot. Bonds3

About N-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride

N-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride (PubChem CID 156696017) has the molecular formula C19H20ClF4N3O and a molecular weight of 417.83 g/mol. Its IUPAC name is N-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
PubChem CID156696017
Molecular FormulaC19H20ClF4N3O
Molecular Weight417.83 g/mol
Exact Mass417.12
IUPAC NameN-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
SMILESCc1ccnc(C(=O)N[C@@H]2CCNC[C@@H]2c2ccc(F)cc2)c1C(F)(F)F.Cl
InChIInChI=1S/C19H19F4N3O.ClH/c1-11-6-9-25-17(16(11)19(21,22)23)18(27)26-15-7-8-24-10-14(15)12-2-4-13(20)5-3-12;/h2-6,9,14-15,24H,7-8,10H2,1H3,(H,26,27);1H/t14-,15-;/m1./s1
InChIKeyWKDVCSLCKKWKCL-CTHHTMFSSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.83
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride (CID 156696017) is N-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride is Cc1ccnc(C(=O)N[C@@H]2CCNC[C@@H]2c2ccc(F)cc2)c1C(F)(F)F.Cl.
What is the InChIKey of N-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?
The InChIKey is WKDVCSLCKKWKCL-CTHHTMFSSA-N. The full InChI is InChI=1S/C19H19F4N3O.ClH/c1-11-6-9-25-17(16(11)19(21,22)23)18(27)26-15-7-8-24-10-14(15)12-2-4-13(20)5-3-12;/h2-6,9,14-15,24H,7-8,10H2,1H3,(H,26,27);1H/t14-,15-;/m1./s1.
What are the key properties of N-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?
N-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 417.83 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 156696017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).