N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride

C18H19ClF3N3O2 — CID 67239256

IUPACN-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O2.ClH/c19-18(20,21)11-26-16-6-3-14(10-23-16)17(25)24-15-4-1-12(2-5-15)13-7-8-22-9-13;/h1-6,10,13,22H,7-9,11H2,(H,24,25);1H/t13-;/m1./s1
InChIKeyLIFXURDHLRRPTE-BTQNPOSSSA-N
MW401.82 g/mol
LogP3.77
Rot. Bonds5

About N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride

N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride (PubChem CID 67239256) has the molecular formula C18H19ClF3N3O2 and a molecular weight of 401.82 g/mol. Its IUPAC name is N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
PubChem CID67239256
Molecular FormulaC18H19ClF3N3O2
Molecular Weight401.82 g/mol
Exact Mass401.11
IUPAC NameN-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O2.ClH/c19-18(20,21)11-26-16-6-3-14(10-23-16)17(25)24-15-4-1-12(2-5-15)13-7-8-22-9-13;/h1-6,10,13,22H,7-9,11H2,(H,24,25);1H/t13-;/m1./s1
InChIKeyLIFXURDHLRRPTE-BTQNPOSSSA-N
XLogP3.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.82
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]phenyl]pyrrolidine-1-carboxylic acid
CID 151388230
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119388337
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
6-pyrazol-1-yl-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide;hydrochloride
CID 67241156
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56556000
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide
CID 67241110
N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 17472215
6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 134010368
N-[3-(cyclopropylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 41405689
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 18141584

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride (CID 67239256) is N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc([C@@H]2CCNC2)cc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride?
The InChIKey is LIFXURDHLRRPTE-BTQNPOSSSA-N. The full InChI is InChI=1S/C18H18F3N3O2.ClH/c19-18(20,21)11-26-16-6-3-14(10-23-16)17(25)24-15-4-1-12(2-5-15)13-7-8-22-9-13;/h1-6,10,13,22H,7-9,11H2,(H,24,25);1H/t13-;/m1./s1.
What are the key properties of N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride?
N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride has a molecular weight of 401.82 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67239256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).