2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide

C15H21F3N4O — CID 120811797

IUPAC2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c(C)n1
InChIInChI=1S/C15H21F3N4O/c1-10-3-4-12(11(2)21-10)14(23)20-9-13(15(16,17)18)22-7-5-19-6-8-22/h3-4,13,19H,5-9H2,1-2H3,(H,20,23)
InChIKeyPHDVBKATXFTTCD-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.26
Rot. Bonds4

About 2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide

2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 120811797) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
PubChem CID120811797
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c(C)n1
InChIInChI=1S/C15H21F3N4O/c1-10-3-4-12(11(2)21-10)14(23)20-9-13(15(16,17)18)22-7-5-19-6-8-22/h3-4,13,19H,5-9H2,1-2H3,(H,20,23)
InChIKeyPHDVBKATXFTTCD-UHFFFAOYSA-N
XLogP1.26
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811330
2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813497
3-methyl-1-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide
CID 120813285
2,3,4-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811198
4-methyl-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
CID 120812827
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride
CID 120811888
2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103726330
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120813533
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride
CID 120813412
6-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120812339
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide (CID 120811797) is 2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c(C)n1.
What is the InChIKey of 2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is PHDVBKATXFTTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-10-3-4-12(11(2)21-10)14(23)20-9-13(15(16,17)18)22-7-5-19-6-8-22/h3-4,13,19H,5-9H2,1-2H3,(H,20,23).
What are the key properties of 2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide?
2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 120811797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).