4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C54H47Cl2F12N9O3 — CID 159752445

IUPAC4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncccc2Cl)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2Cl)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2F)CC1
InChIInChI=1S/C18H16ClF4N3O.C18H15ClF3N3O.C18H16F5N3O/c19-14-2-1-9-24-15(14)17(20)7-10-26(11-8-17)16(27)25-13-5-3-12(4-6-13)18(21,22)23;19-15-2-1-9-23-16(15)12-7-10-25(11-8-12)17(26)24-14-5-3-13(4-6-14)18(20,21)22;19-14-2-1-9-24-15(14)17(20)7-10-26(11-8-17)16(27)25-13-5-3-12(4-6-13)18(21,22)23/h1-6,9H,7-8,10-11H2,(H,25,27);1-7,9H,8,10-11H2,(H,24,26);1-6,9H,7-8,10-11H2,(H,25,27)
InChIKeyNDUWZPCHAFFAHD-UHFFFAOYSA-N
MW1168.91 g/mol
LogP15.05
Rot. Bonds6

About 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 159752445) has the molecular formula C54H47Cl2F12N9O3 and a molecular weight of 1168.91 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID159752445
Molecular FormulaC54H47Cl2F12N9O3
Molecular Weight1168.91 g/mol
Exact Mass1167.30
IUPAC Name4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncccc2Cl)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2Cl)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2F)CC1
InChIInChI=1S/C18H16ClF4N3O.C18H15ClF3N3O.C18H16F5N3O/c19-14-2-1-9-24-15(14)17(20)7-10-26(11-8-17)16(27)25-13-5-3-12(4-6-13)18(21,22)23;19-15-2-1-9-23-16(15)12-7-10-25(11-8-12)17(26)24-14-5-3-13(4-6-14)18(20,21)22;19-14-2-1-9-24-15(14)17(20)7-10-26(11-8-17)16(27)25-13-5-3-12(4-6-13)18(21,22)23/h1-6,9H,7-8,10-11H2,(H,25,27);1-7,9H,8,10-11H2,(H,24,26);1-6,9H,7-8,10-11H2,(H,25,27)
InChIKeyNDUWZPCHAFFAHD-UHFFFAOYSA-N
XLogP15.05
TPSA135.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001168.91
LogP ≤ 515.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-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

4-(3-chloropyridin-2-yl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11269624
4-(3-chloropyridin-2-yl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 57770405
4-[3-chloro-5-[(dimethylamino)methyl]pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 57770410
N-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,4-difluoropiperidine-1-carboxamide
CID 16740019
1-[(1R)-1-(5-chloropyridin-2-yl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea
CID 16740140
1-[(1R)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-pyridin-4-ylurea
CID 16740147
1-[(1R)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-pyridin-3-ylurea
CID 16740148
4-[3-chloro-5-[2-(dimethylamino)ethyl]pyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 57770459
4-[5-(aminomethyl)-3-chloropyridin-2-yl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 57770513
1-[(1R)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]-3-(3-fluorophenyl)urea
CID 58919923
N-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]piperidine-1-carboxamide
CID 58919925
1-[1-(5-Chloropyridin-2-yl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 58920158

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 159752445) is 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncccc2Cl)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2Cl)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncccc2F)CC1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is NDUWZPCHAFFAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF4N3O.C18H15ClF3N3O.C18H16F5N3O/c19-14-2-1-9-24-15(14)17(20)7-10-26(11-8-17)16(27)25-13-5-3-12(4-6-13)18(21,22)23;19-15-2-1-9-23-16(15)12-7-10-25(11-8-12)17(26)24-14-5-3-13(4-6-14)18(20,21)22;19-14-2-1-9-24-15(14)17(20)7-10-26(11-8-17)16(27)25-13-5-3-12(4-6-13)18(21,22)23/h1-6,9H,7-8,10-11H2,(H,25,27);1-7,9H,8,10-11H2,(H,24,26);1-6,9H,7-8,10-11H2,(H,25,27).
What are the key properties of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 1168.91 g/mol, XLogP of 15.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 159752445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).