4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C19H20ClF3N4O — CID 10295189

IUPAC4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC1CN(c2ncccc2Cl)CC(C)N1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20ClF3N4O/c1-12-10-26(17-16(20)4-3-9-24-17)11-13(2)27(12)18(28)25-15-7-5-14(6-8-15)19(21,22)23/h3-9,12-13H,10-11H2,1-2H3,(H,25,28)
InChIKeyVASNPDLCKLSOER-UHFFFAOYSA-N
MW412.84 g/mol
LogP4.88
Rot. Bonds2

About 4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 10295189) has the molecular formula C19H20ClF3N4O and a molecular weight of 412.84 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID10295189
Molecular FormulaC19H20ClF3N4O
Molecular Weight412.84 g/mol
Exact Mass412.13
IUPAC Name4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC1CN(c2ncccc2Cl)CC(C)N1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20ClF3N4O/c1-12-10-26(17-16(20)4-3-9-24-17)11-13(2)27(12)18(28)25-15-7-5-14(6-8-15)19(21,22)23/h3-9,12-13H,10-11H2,1-2H3,(H,25,28)
InChIKeyVASNPDLCKLSOER-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 10295189) is 4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CC1CN(c2ncccc2Cl)CC(C)N1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is VASNPDLCKLSOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N4O/c1-12-10-26(17-16(20)4-3-9-24-17)11-13(2)27(12)18(28)25-15-7-5-14(6-8-15)19(21,22)23/h3-9,12-13H,10-11H2,1-2H3,(H,25,28).
What are the key properties of 4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 412.84 g/mol, XLogP of 4.88, 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)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 10295189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).