N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide

C17H16ClF3N4O — CID 109274240

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cnc(NC2CCCC2)cn1
InChIInChI=1S/C17H16ClF3N4O/c18-10-5-6-13(12(7-10)17(19,20)21)25-16(26)14-8-23-15(9-22-14)24-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,23,24)(H,25,26)
InChIKeyJRBXUDLFBIMPMW-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.76
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide (PubChem CID 109274240) has the molecular formula C17H16ClF3N4O and a molecular weight of 384.79 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide
PubChem CID109274240
Molecular FormulaC17H16ClF3N4O
Molecular Weight384.79 g/mol
Exact Mass384.10
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cnc(NC2CCCC2)cn1
InChIInChI=1S/C17H16ClF3N4O/c18-10-5-6-13(12(7-10)17(19,20)21)25-16(26)14-8-23-15(9-22-14)24-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,23,24)(H,25,26)
InChIKeyJRBXUDLFBIMPMW-UHFFFAOYSA-N
XLogP4.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide
CID 109151376
5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
CID 109274799
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250623
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272317
N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide
CID 109287599
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide
CID 109295693
5-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrazine-2-carboxamide
CID 109274247
N-(2-bromo-4-methylphenyl)-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274228
5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide
CID 109270933
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179811
5-(cyclopropylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109271889
[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273671

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide (CID 109274240) is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cnc(NC2CCCC2)cn1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide?
The InChIKey is JRBXUDLFBIMPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N4O/c18-10-5-6-13(12(7-10)17(19,20)21)25-16(26)14-8-23-15(9-22-14)24-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,23,24)(H,25,26).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide has a molecular weight of 384.79 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109274240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).