N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide

C17H17F3N4O — CID 109274017

IUPACN-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)11-5-7-13(8-6-11)23-15-10-21-14(9-22-15)16(25)24-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,22,23)(H,24,25)
InChIKeyUSEHCEZXEOADFQ-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.91
Rot. Bonds4

About N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide

N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide (PubChem CID 109274017) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
PubChem CID109274017
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC NameN-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)11-5-7-13(8-6-11)23-15-10-21-14(9-22-15)16(25)24-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,22,23)(H,24,25)
InChIKeyUSEHCEZXEOADFQ-UHFFFAOYSA-N
XLogP3.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
CID 109274775
N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109274776
5-(4-acetamidoanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271696
N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109364049
N-(4-fluorophenyl)-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292493
5-anilino-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289577
5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
CID 109274799
5-(cyclopropylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109271889
5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide
CID 109274039
N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109201821
5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271678
5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271673

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide (CID 109274017) is N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide is O=C(NC1CCCC1)c1cnc(Nc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
The InChIKey is USEHCEZXEOADFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-17(19,20)11-5-7-13(8-6-11)23-15-10-21-14(9-22-15)16(25)24-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,22,23)(H,24,25).
What are the key properties of N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide?
N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 109274017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).