6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride

C14H21Cl2F3N4O — CID 120811330

IUPAC6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
SMILESCc1cccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)n1.Cl.Cl
InChIInChI=1S/C14H19F3N4O.2ClH/c1-10-3-2-4-11(20-10)13(22)19-9-12(14(15,16)17)21-7-5-18-6-8-21;;/h2-4,12,18H,5-9H2,1H3,(H,19,22);2*1H
InChIKeyONHOFDRWIFCAEE-UHFFFAOYSA-N
MW389.25 g/mol
LogP1.80
Rot. Bonds4

About 6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride

6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride (PubChem CID 120811330) has the molecular formula C14H21Cl2F3N4O and a molecular weight of 389.25 g/mol. Its IUPAC name is 6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
PubChem CID120811330
Molecular FormulaC14H21Cl2F3N4O
Molecular Weight389.25 g/mol
Exact Mass388.10
IUPAC Name6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
SMILESCc1cccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)n1.Cl.Cl
InChIInChI=1S/C14H19F3N4O.2ClH/c1-10-3-2-4-11(20-10)13(22)19-9-12(14(15,16)17)21-7-5-18-6-8-21;;/h2-4,12,18H,5-9H2,1H3,(H,19,22);2*1H
InChIKeyONHOFDRWIFCAEE-UHFFFAOYSA-N
XLogP1.80
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120812339
2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 120811797
5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 120813048
5-bromo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811854
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
4-methyl-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
CID 120812827
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 120813567
2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride
CID 120813656
1-benzyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride
CID 120811194
2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120811834
6-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide
CID 61177598

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of 6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride (CID 120811330) is 6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for 6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride is Cc1cccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)n1.Cl.Cl.
What is the InChIKey of 6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride?
The InChIKey is ONHOFDRWIFCAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O.2ClH/c1-10-3-2-4-11(20-10)13(22)19-9-12(14(15,16)17)21-7-5-18-6-8-21;;/h2-4,12,18H,5-9H2,1H3,(H,19,22);2*1H.
What are the key properties of 6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride?
6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride has a molecular weight of 389.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120811330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).