5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C18H14F3N5O — CID 109283161

IUPAC5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cnc(NCc2ccccn2)cn1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)12-4-3-6-13(8-12)26-17(27)15-10-25-16(11-23-15)24-9-14-5-1-2-7-22-14/h1-8,10-11H,9H2,(H,24,25)(H,26,27)
InChIKeyVUCCHIUAJBRMGH-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.75
Rot. Bonds5

About 5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 109283161) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is 5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID109283161
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC Name5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cnc(NCc2ccccn2)cn1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)12-4-3-6-13(8-12)26-17(27)15-10-25-16(11-23-15)24-9-14-5-1-2-7-22-14/h1-8,10-11H,9H2,(H,24,25)(H,26,27)
InChIKeyVUCCHIUAJBRMGH-UHFFFAOYSA-N
XLogP3.75
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157711
N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283133
5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289576
N-(4-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283138
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 107377456
N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283148
N-(pyridin-2-ylmethyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109282922
methyl 4-[[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109283169
5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109280985
N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292840
N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191093

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 109283161) is 5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(NCc2ccccn2)cn1.
What is the InChIKey of 5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is VUCCHIUAJBRMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c19-18(20,21)12-4-3-6-13(8-12)26-17(27)15-10-25-16(11-23-15)24-9-14-5-1-2-7-22-14/h1-8,10-11H,9H2,(H,24,25)(H,26,27).
What are the key properties of 5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 373.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109283161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).