6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide

C14H9F3N4O — CID 67086169

IUPAC6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide
SMILESN#Cc1cnc(F)c(C(=O)NCCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H9F3N4O/c15-10-2-1-8(5-11(10)16)3-4-19-14(22)12-13(17)20-7-9(6-18)21-12/h1-2,5,7H,3-4H2,(H,19,22)
InChIKeyGWHPIZHSFLZMJM-UHFFFAOYSA-N
MW306.25 g/mol
LogP1.74
Rot. Bonds4

About 6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide

6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide (PubChem CID 67086169) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is 6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide
PubChem CID67086169
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide
SMILESN#Cc1cnc(F)c(C(=O)NCCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H9F3N4O/c15-10-2-1-8(5-11(10)16)3-4-19-14(22)12-13(17)20-7-9(6-18)21-12/h1-2,5,7H,3-4H2,(H,19,22)
InChIKeyGWHPIZHSFLZMJM-UHFFFAOYSA-N
XLogP1.74
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-bromophenyl)ethylamino]-6-cyano-N-[2-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 67086589
3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[2-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 122525627
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258
5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 110795401
5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 167925836
3-cyano-N-[2-(3,4-difluorophenyl)ethyl]oxetane-3-carboxamide
CID 115184813
N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795396
N-[2-(3,4-difluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110788270
N-[2-(3,4-difluorophenyl)ethyl]-3-sulfanylpropanamide
CID 115168012
6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 115116559
2-(aminomethyl)-N-[2-(3,4-difluorophenyl)ethyl]butanamide
CID 115187053
3-fluoro-N-[2-(4-fluorophenyl)ethyl]-5-methylpyridine-2-carboxamide
CID 146074894

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide?
The IUPAC name of 6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide (CID 67086169) is 6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide.
What is the SMILES notation for 6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide?
The canonical SMILES for 6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide is N#Cc1cnc(F)c(C(=O)NCCc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide?
The InChIKey is GWHPIZHSFLZMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O/c15-10-2-1-8(5-11(10)16)3-4-19-14(22)12-13(17)20-7-9(6-18)21-12/h1-2,5,7H,3-4H2,(H,19,22).
What are the key properties of 6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide?
6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide has a molecular weight of 306.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[2-(3,4-difluorophenyl)ethyl]-3-fluoropyrazine-2-carboxamide is sourced from PubChem (CID 67086169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).