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

C57H52ClF14N9O2 — CID 158273732

IUPAC4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;3-fluoro-N-[1-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]ethenyl]-4-(trifluoromethyl)aniline;4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESC=C(Nc1ccc(C(F)(F)F)c(F)c1)N1CCC(F)(c2ncccc2F)CC1.Cc1cc(NC(=O)N2CC=C(c3ncccc3F)CC2)ccc1C(F)(F)F.Cc1cc(NC(=O)N2CCC(F)(c3ncccc3Cl)CC2)ccc1C(F)(F)F
InChIInChI=1S/C19H18ClF4N3O.C19H17F6N3.C19H17F4N3O/c1-12-11-13(4-5-14(12)19(22,23)24)26-17(28)27-9-6-18(21,7-10-27)16-15(20)3-2-8-25-16;1-12(27-13-4-5-14(16(21)11-13)19(23,24)25)28-9-6-18(22,7-10-28)17-15(20)3-2-8-26-17;1-12-11-14(4-5-15(12)19(21,22)23)25-18(27)26-9-6-13(7-10-26)17-16(20)3-2-8-24-17/h2-5,8,11H,6-7,9-10H2,1H3,(H,26,28);2-5,8,11,27H,1,6-7,9-10H2;2-6,8,11H,7,9-10H2,1H3,(H,25,27)
InChIKeyGJIUKYJLAAODSU-UHFFFAOYSA-N
MW1196.53 g/mol
LogP15.65
Rot. Bonds8

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

4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;3-fluoro-N-[1-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]ethenyl]-4-(trifluoromethyl)aniline;4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 158273732) has the molecular formula C57H52ClF14N9O2 and a molecular weight of 1196.53 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;3-fluoro-N-[1-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]ethenyl]-4-(trifluoromethyl)aniline;4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;3-fluoro-N-[1-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]ethenyl]-4-(trifluoromethyl)aniline;4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID158273732
Molecular FormulaC57H52ClF14N9O2
Molecular Weight1196.53 g/mol
Exact Mass1195.37
IUPAC Name4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;3-fluoro-N-[1-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]ethenyl]-4-(trifluoromethyl)aniline;4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESC=C(Nc1ccc(C(F)(F)F)c(F)c1)N1CCC(F)(c2ncccc2F)CC1.Cc1cc(NC(=O)N2CC=C(c3ncccc3F)CC2)ccc1C(F)(F)F.Cc1cc(NC(=O)N2CCC(F)(c3ncccc3Cl)CC2)ccc1C(F)(F)F
InChIInChI=1S/C19H18ClF4N3O.C19H17F6N3.C19H17F4N3O/c1-12-11-13(4-5-14(12)19(22,23)24)26-17(28)27-9-6-18(21,7-10-27)16-15(20)3-2-8-25-16;1-12(27-13-4-5-14(16(21)11-13)19(23,24)25)28-9-6-18(22,7-10-28)17-15(20)3-2-8-26-17;1-12-11-14(4-5-15(12)19(21,22)23)25-18(27)26-9-6-13(7-10-26)17-16(20)3-2-8-24-17/h2-5,8,11H,6-7,9-10H2,1H3,(H,26,28);2-5,8,11,27H,1,6-7,9-10H2;2-6,8,11H,7,9-10H2,1H3,(H,25,27)
InChIKeyGJIUKYJLAAODSU-UHFFFAOYSA-N
XLogP15.65
TPSA118.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001196.53
LogP ≤ 515.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;3-fluoro-N-[1-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]ethenyl]-4-(trifluoromethyl)aniline;4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Related Compounds

4-(3-chloropyridin-2-yl)-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11269624
1-[1-(5-Chloro-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[3-(1,1-difluoroethyl)-2-fluorophenyl]urea
CID 58920183
1-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylphenyl)ethyl]-3-(3-fluorophenyl)urea
CID 58920504
1-[(1S)-1-(5-chloropyridin-2-yl)-1-[2-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea
CID 58920782
1-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-pyridin-4-ylethyl]-3-(3-fluorophenyl)urea
CID 58920931
1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea
CID 58920995
1-[1-(5-Chloropyridin-2-yl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(3-fluoro-4-methylphenyl)urea
CID 58921251
1-[(1R)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylphenyl)ethyl]-3-(3-fluorophenyl)urea
CID 58921626
3-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-1-methyl-1-phenylurea
CID 58921704
1-[1-(5-Chloro-2-pyridinyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(3-fluorophenyl)urea
CID 66934309
4-(3-chloro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68103362
4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 68103367

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;3-fluoro-N-[1-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]ethenyl]-4-(trifluoromethyl)aniline;4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;3-fluoro-N-[1-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]ethenyl]-4-(trifluoromethyl)aniline;4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 158273732) is 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;3-fluoro-N-[1-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]ethenyl]-4-(trifluoromethyl)aniline;4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;3-fluoro-N-[1-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]ethenyl]-4-(trifluoromethyl)aniline;4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;3-fluoro-N-[1-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]ethenyl]-4-(trifluoromethyl)aniline;4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is C=C(Nc1ccc(C(F)(F)F)c(F)c1)N1CCC(F)(c2ncccc2F)CC1.Cc1cc(NC(=O)N2CC=C(c3ncccc3F)CC2)ccc1C(F)(F)F.Cc1cc(NC(=O)N2CCC(F)(c3ncccc3Cl)CC2)ccc1C(F)(F)F.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;3-fluoro-N-[1-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]ethenyl]-4-(trifluoromethyl)aniline;4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is GJIUKYJLAAODSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF4N3O.C19H17F6N3.C19H17F4N3O/c1-12-11-13(4-5-14(12)19(22,23)24)26-17(28)27-9-6-18(21,7-10-27)16-15(20)3-2-8-25-16;1-12(27-13-4-5-14(16(21)11-13)19(23,24)25)28-9-6-18(22,7-10-28)17-15(20)3-2-8-26-17;1-12-11-14(4-5-15(12)19(21,22)23)25-18(27)26-9-6-13(7-10-26)17-16(20)3-2-8-24-17/h2-5,8,11H,6-7,9-10H2,1H3,(H,26,28);2-5,8,11,27H,1,6-7,9-10H2;2-6,8,11H,7,9-10H2,1H3,(H,25,27).
What are the key properties of 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;3-fluoro-N-[1-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]ethenyl]-4-(trifluoromethyl)aniline;4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;3-fluoro-N-[1-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]ethenyl]-4-(trifluoromethyl)aniline;4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 1196.53 g/mol, XLogP of 15.65, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;3-fluoro-N-[1-[4-fluoro-4-(3-fluoro-2-pyridinyl)piperidin-1-yl]ethenyl]-4-(trifluoromethyl)aniline;4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 158273732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).