N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C17H18F3N5O — CID 158285973

IUPACN-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)nc1
InChIInChI=1S/C17H18F3N5O/c1-12-5-6-14(21-11-12)23-16(26)25-9-7-24(8-10-25)15-4-2-3-13(22-15)17(18,19)20/h2-6,11H,7-10H2,1H3,(H,21,23,26)
InChIKeyCZPLSDVMEPFUBW-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.16
Rot. Bonds2

About N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 158285973) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID158285973
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC NameN-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)nc1
InChIInChI=1S/C17H18F3N5O/c1-12-5-6-14(21-11-12)23-16(26)25-9-7-24(8-10-25)15-4-2-3-13(22-15)17(18,19)20/h2-6,11H,7-10H2,1H3,(H,21,23,26)
InChIKeyCZPLSDVMEPFUBW-UHFFFAOYSA-N
XLogP3.16
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159848702
4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 59676624
4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide
CID 56919619
N-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47090227
4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 138994954
pyrazin-2-yl-[4-[6-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 138381419
N-(6-methoxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbothioamide
CID 53257093
N-(2,5-dimethylphenyl)-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 3680055
N-(5-fluoro-2-pyridinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11639257
N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 56919468
4-methoxy-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 146077999
(2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 94810988

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 158285973) is N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is CZPLSDVMEPFUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c1-12-5-6-14(21-11-12)23-16(26)25-9-7-24(8-10-25)15-4-2-3-13(22-15)17(18,19)20/h2-6,11H,7-10H2,1H3,(H,21,23,26).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 158285973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).