N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride

C12H16ClF3N4O — CID 168957491

IUPACN-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
SMILESCNC(=O)c1ccc(N2CCNCC2)c(C(F)(F)F)n1.Cl
InChIInChI=1S/C12H15F3N4O.ClH/c1-16-11(20)8-2-3-9(10(18-8)12(13,14)15)19-6-4-17-5-7-19;/h2-3,17H,4-7H2,1H3,(H,16,20);1H
InChIKeyRVGBIIZHKCZITG-UHFFFAOYSA-N
MW324.73 g/mol
LogP1.29
Rot. Bonds2

About N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride

N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride (PubChem CID 168957491) has the molecular formula C12H16ClF3N4O and a molecular weight of 324.73 g/mol. Its IUPAC name is N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
PubChem CID168957491
Molecular FormulaC12H16ClF3N4O
Molecular Weight324.73 g/mol
Exact Mass324.10
IUPAC NameN-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
SMILESCNC(=O)c1ccc(N2CCNCC2)c(C(F)(F)F)n1.Cl
InChIInChI=1S/C12H15F3N4O.ClH/c1-16-11(20)8-2-3-9(10(18-8)12(13,14)15)19-6-4-17-5-7-19;/h2-3,17H,4-7H2,1H3,(H,16,20);1H
InChIKeyRVGBIIZHKCZITG-UHFFFAOYSA-N
XLogP1.29
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide
CID 172768945
ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 168900115
6-cyano-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 166021778
N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride
CID 140869989
N,6-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 82044208
3-chloro-N-methyl-4-piperazin-1-ylbenzamide;hydrochloride
CID 66777061
6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide
CID 172815704
5-(2,6-diazaspiro[3.3]heptan-2-yl)-N,6-dimethylpyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 174227125
6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 178131938
6-chloro-N-(3,3-difluoroazetidin-1-yl)-5-piperazin-1-ylpyridine-2-carboxamide
CID 178131806
N-methyl-4-[4-[[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919791
N-methyl-9-oxo-1,6,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide
CID 171471349

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride (CID 168957491) is N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride is CNC(=O)c1ccc(N2CCNCC2)c(C(F)(F)F)n1.Cl.
What is the InChIKey of N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?
The InChIKey is RVGBIIZHKCZITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O.ClH/c1-16-11(20)8-2-3-9(10(18-8)12(13,14)15)19-6-4-17-5-7-19;/h2-3,17H,4-7H2,1H3,(H,16,20);1H.
What are the key properties of N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride?
N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride has a molecular weight of 324.73 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 168957491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).