5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide

C19H15ClF6N4O3 — CID 163550473

IUPAC5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide
SMILESCC1NC(OCC(F)(F)F)=C(c2ccc(Cl)cc2)C=C1C(=O)NCc1nc(C(F)(F)F)no1
InChIInChI=1S/C19H15ClF6N4O3/c1-9-12(15(31)27-7-14-29-17(30-33-14)19(24,25)26)6-13(10-2-4-11(20)5-3-10)16(28-9)32-8-18(21,22)23/h2-6,9,28H,7-8H2,1H3,(H,27,31)
InChIKeyFIQIGWMTRZQZGN-UHFFFAOYSA-N
MW496.80 g/mol
LogP4.22
Rot. Bonds6

About 5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide

5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide (PubChem CID 163550473) has the molecular formula C19H15ClF6N4O3 and a molecular weight of 496.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide
PubChem CID163550473
Molecular FormulaC19H15ClF6N4O3
Molecular Weight496.80 g/mol
Exact Mass496.07
IUPAC Name5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide
SMILESCC1NC(OCC(F)(F)F)=C(c2ccc(Cl)cc2)C=C1C(=O)NCc1nc(C(F)(F)F)no1
InChIInChI=1S/C19H15ClF6N4O3/c1-9-12(15(31)27-7-14-29-17(30-33-14)19(24,25)26)6-13(10-2-4-11(20)5-3-10)16(28-9)32-8-18(21,22)23/h2-6,9,28H,7-8H2,1H3,(H,27,31)
InChIKeyFIQIGWMTRZQZGN-UHFFFAOYSA-N
XLogP4.22
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.80
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-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

[4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl] N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 118249782
4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide;4-(4-chlorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 159153975
5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 56929372
4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 56928692
6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 56929464
5-(3,4-difluorophenyl)-6-(2-methoxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 56929560
5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 66687182
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropanamide
CID 2991645
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940
5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide
CID 56929003
[4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl] N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]carbamate
CID 118249779
1-[2,6-dichloro-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]-3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 130274728

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide (CID 163550473) is 5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide is CC1NC(OCC(F)(F)F)=C(c2ccc(Cl)cc2)C=C1C(=O)NCc1nc(C(F)(F)F)no1.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide?
The InChIKey is FIQIGWMTRZQZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF6N4O3/c1-9-12(15(31)27-7-14-29-17(30-33-14)19(24,25)26)6-13(10-2-4-11(20)5-3-10)16(28-9)32-8-18(21,22)23/h2-6,9,28H,7-8H2,1H3,(H,27,31).
What are the key properties of 5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide?
5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide has a molecular weight of 496.80 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methyl-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 163550473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).