4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C19H20ClF3N4O — CID 20720905

IUPAC4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2C)cc1C(F)(F)F
InChIInChI=1S/C19H20ClF3N4O/c1-12-5-6-14(10-15(12)19(21,22)23)25-18(28)27-9-8-26(11-13(27)2)17-16(20)4-3-7-24-17/h3-7,10,13H,8-9,11H2,1-2H3,(H,25,28)
InChIKeyPPXCODMAHANTSI-UHFFFAOYSA-N
MW412.84 g/mol
LogP4.80
Rot. Bonds2

About 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 20720905) has the molecular formula C19H20ClF3N4O and a molecular weight of 412.84 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID20720905
Molecular FormulaC19H20ClF3N4O
Molecular Weight412.84 g/mol
Exact Mass412.13
IUPAC Name4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2C)cc1C(F)(F)F
InChIInChI=1S/C19H20ClF3N4O/c1-12-5-6-14(10-15(12)19(21,22)23)25-18(28)27-9-8-26(11-13(27)2)17-16(20)4-3-7-24-17/h3-7,10,13H,8-9,11H2,1-2H3,(H,25,28)
InChIKeyPPXCODMAHANTSI-UHFFFAOYSA-N
XLogP4.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-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

N-(4-tert-Butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide
CID 9929425
(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(4-(dimethylamino)-2,6-difluorophenyl)ethyl)-
CID 3001133
Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(3-(dimethylamino)-2,6-difluorophenyl)ethyl)-
CID 3001080
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
N-(4-methylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carboxamide
CID 2741741
(2R,5S)-N-(6-chloropyridin-3-yl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine-1-carboxamide
CID 11532211
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(pyridin-3-yl)piperazine-1-carboxamide
CID 11539442
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(5-methylpyridin-3-yl)piperazine-1-carboxamide
CID 11539737
(2R,5S)-N-(6-aminopyridin-3-yl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine-1-carboxamide
CID 11661683
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(pyrimidin-5-yl)piperazine-1-carboxamide
CID 11689938
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(4-methylpyridin-3-yl)piperazine-1-carboxamide
CID 11690220

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 20720905) is 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2C)cc1C(F)(F)F.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is PPXCODMAHANTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N4O/c1-12-5-6-14(10-15(12)19(21,22)23)25-18(28)27-9-8-26(11-13(27)2)17-16(20)4-3-7-24-17/h3-7,10,13H,8-9,11H2,1-2H3,(H,25,28).
What are the key properties of 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 412.84 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 20720905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).