2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide

C13H17F3N4O — CID 67289608

IUPAC2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1nc(N2CCN(CC(F)(F)F)CC2)ccc1C(N)=O
InChIInChI=1S/C13H17F3N4O/c1-9-10(12(17)21)2-3-11(18-9)20-6-4-19(5-7-20)8-13(14,15)16/h2-3H,4-8H2,1H3,(H2,17,21)
InChIKeyPGCRYWBTCZDDLB-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.17
Rot. Bonds3

About 2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide

2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 67289608) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID67289608
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1nc(N2CCN(CC(F)(F)F)CC2)ccc1C(N)=O
InChIInChI=1S/C13H17F3N4O/c1-9-10(12(17)21)2-3-11(18-9)20-6-4-19(5-7-20)8-13(14,15)16/h2-3H,4-8H2,1H3,(H2,17,21)
InChIKeyPGCRYWBTCZDDLB-UHFFFAOYSA-N
XLogP1.17
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide (CID 67289608) is 2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide is Cc1nc(N2CCN(CC(F)(F)F)CC2)ccc1C(N)=O.
What is the InChIKey of 2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is PGCRYWBTCZDDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-9-10(12(17)21)2-3-11(18-9)20-6-4-19(5-7-20)8-13(14,15)16/h2-3H,4-8H2,1H3,(H2,17,21).
What are the key properties of 2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide?
2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67289608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).