N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide

C21H19F3N4O — CID 175651784

IUPACN-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCCN(c2ccnc3cc(C(F)(F)F)ccc23)C1)c1cccnc1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)15-5-6-17-18(11-15)26-9-7-19(17)28-10-2-4-16(13-28)27-20(29)14-3-1-8-25-12-14/h1,3,5-9,11-12,16H,2,4,10,13H2,(H,27,29)
InChIKeySVHLDTQFGAUUEP-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.05
Rot. Bonds3

About N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide

N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 175651784) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide
PubChem CID175651784
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC NameN-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCCN(c2ccnc3cc(C(F)(F)F)ccc23)C1)c1cccnc1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)15-5-6-17-18(11-15)26-9-7-19(17)28-10-2-4-16(13-28)27-20(29)14-3-1-8-25-12-14/h1,3,5-9,11-12,16H,2,4,10,13H2,(H,27,29)
InChIKeySVHLDTQFGAUUEP-UHFFFAOYSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide 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

N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide
CID 163354863
N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyridine-3-carboxamide
CID 175651012
5-methyl-N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 133405243
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 95614562
4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid
CID 66622606
oxolan-2-yl-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 171996126
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 175650470
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133402449
4-chloro-N-[[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methyl]aniline
CID 166336183
N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide
CID 89462995
(3-hydroxyphenyl)-[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 133400999

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide (CID 175651784) is N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide is O=C(NC1CCCN(c2ccnc3cc(C(F)(F)F)ccc23)C1)c1cccnc1.
What is the InChIKey of N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide?
The InChIKey is SVHLDTQFGAUUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c22-21(23,24)15-5-6-17-18(11-15)26-9-7-19(17)28-10-2-4-16(13-28)27-20(29)14-3-1-8-25-12-14/h1,3,5-9,11-12,16H,2,4,10,13H2,(H,27,29).
What are the key properties of N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide?
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 400.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 175651784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).