5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide

C15H14ClF3N4O — CID 109270933

IUPAC5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide
SMILESCCCNC(=O)c1cnc(Nc2ccc(Cl)cc2C(F)(F)F)cn1
InChIInChI=1S/C15H14ClF3N4O/c1-2-5-20-14(24)12-7-22-13(8-21-12)23-11-4-3-9(16)6-10(11)15(17,18)19/h3-4,6-8H,2,5H2,1H3,(H,20,24)(H,22,23)
InChIKeyAAVKFLXJHGPORP-UHFFFAOYSA-N
MW358.75 g/mol
LogP4.03
Rot. Bonds5

About 5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide

5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide (PubChem CID 109270933) has the molecular formula C15H14ClF3N4O and a molecular weight of 358.75 g/mol. Its IUPAC name is 5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide
PubChem CID109270933
Molecular FormulaC15H14ClF3N4O
Molecular Weight358.75 g/mol
Exact Mass358.08
IUPAC Name5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide
SMILESCCCNC(=O)c1cnc(Nc2ccc(Cl)cc2C(F)(F)F)cn1
InChIInChI=1S/C15H14ClF3N4O/c1-2-5-20-14(24)12-7-22-13(8-21-12)23-11-4-3-9(16)6-10(11)15(17,18)19/h3-4,6-8H,2,5H2,1H3,(H,20,24)(H,22,23)
InChIKeyAAVKFLXJHGPORP-UHFFFAOYSA-N
XLogP4.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
CID 109274799
N-butyl-6-[4-chloro-2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109340173
[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273671
N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202636
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272317
5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184357
2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide
CID 109312178
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyclopentylamino)pyrazine-2-carboxamide
CID 109274240
5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide
CID 109288090
6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151940
5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109292424
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-2-carboxamide
CID 109194819

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide?
The IUPAC name of 5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide (CID 109270933) is 5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide?
The canonical SMILES for 5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide is CCCNC(=O)c1cnc(Nc2ccc(Cl)cc2C(F)(F)F)cn1.
What is the InChIKey of 5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide?
The InChIKey is AAVKFLXJHGPORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O/c1-2-5-20-14(24)12-7-22-13(8-21-12)23-11-4-3-9(16)6-10(11)15(17,18)19/h3-4,6-8H,2,5H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide?
5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide has a molecular weight of 358.75 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide is sourced from PubChem (CID 109270933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).