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

C55H47Cl2F10N9O4 — CID 157332927

IUPAC4-(3-chloro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cc(NC(=O)N2CC=C(c3ncccc3Cl)CC2)ccc1C(F)(F)F.O=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncccc2F)CC1.O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC=C(c2ncccc2Cl)CC1
InChIInChI=1S/C19H17ClF3N3O.C18H15ClF3N3O2.C18H15F4N3O/c1-12-11-14(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;19-15-2-1-9-23-16(15)12-7-10-25(11-8-12)17(26)24-13-3-5-14(6-4-13)27-18(20,21)22;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/h2-6,8,11H,7,9-10H2,1H3,(H,25,27);1-7,9H,8,10-11H2,(H,24,26);1-7,9H,8,10-11H2,(H,24,26)
InChIKeyBFMQJVMKWYIJIU-UHFFFAOYSA-N
MW1158.93 g/mol
LogP14.90
Rot. Bonds7

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

4-(3-chloro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 157332927) has the molecular formula C55H47Cl2F10N9O4 and a molecular weight of 1158.93 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID157332927
Molecular FormulaC55H47Cl2F10N9O4
Molecular Weight1158.93 g/mol
Exact Mass1157.30
IUPAC Name4-(3-chloro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cc(NC(=O)N2CC=C(c3ncccc3Cl)CC2)ccc1C(F)(F)F.O=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncccc2F)CC1.O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC=C(c2ncccc2Cl)CC1
InChIInChI=1S/C19H17ClF3N3O.C18H15ClF3N3O2.C18H15F4N3O/c1-12-11-14(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;19-15-2-1-9-23-16(15)12-7-10-25(11-8-12)17(26)24-13-3-5-14(6-4-13)27-18(20,21)22;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/h2-6,8,11H,7,9-10H2,1H3,(H,25,27);1-7,9H,8,10-11H2,(H,24,26);1-7,9H,8,10-11H2,(H,24,26)
InChIKeyBFMQJVMKWYIJIU-UHFFFAOYSA-N
XLogP14.90
TPSA144.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001158.93
LogP ≤ 514.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-(3-chloropyridin-2-yl)-N-[3-propan-2-yl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 57770387
4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 18715184
1-[3-(5-Chloropyridin-2-yl)phenyl]-3-[4-(difluoromethoxy)phenyl]urea
CID 57875197
1-[1-(5-Chloropyridin-2-yl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 58920677
1-[4-(7-Aminoisoquinolin-1-yl)oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;[4-(7-aminoisoquinolin-1-yl)oxyphenyl]urea
CID 66642653
N-(4-cyanophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 67517590
4-(3-chloropyridin-2-yl)-4-fluoro-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 68103365
1-[[3-(4-Chloropyridin-2-yl)phenyl]methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea
CID 72206300
N-(4-chlorophenyl)-4-fluoro-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide;4-[4-fluoro-4-(3-methyl-2-pyridinyl)piperidin-1-yl]benzonitrile;4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 89845217
1-[[3-(5-Chloropyridin-2-yl)phenyl]methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea
CID 90014429
1-[[3-(5-Chloro-2-pyridinyl)phenyl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]urea
CID 90014431
1-[[3-(4-Chloro-2-pyridinyl)phenyl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]urea
CID 90014730

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 157332927) is 4-(3-chloro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1cc(NC(=O)N2CC=C(c3ncccc3Cl)CC2)ccc1C(F)(F)F.O=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncccc2F)CC1.O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC=C(c2ncccc2Cl)CC1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is BFMQJVMKWYIJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O.C18H15ClF3N3O2.C18H15F4N3O/c1-12-11-14(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;19-15-2-1-9-23-16(15)12-7-10-25(11-8-12)17(26)24-13-3-5-14(6-4-13)27-18(20,21)22;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/h2-6,8,11H,7,9-10H2,1H3,(H,25,27);1-7,9H,8,10-11H2,(H,24,26);1-7,9H,8,10-11H2,(H,24,26).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 1158.93 g/mol, XLogP of 14.90, 7 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)-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 157332927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).