N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide

C14H12FN5O — CID 107376511

IUPACN-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)Nc2ccc(F)cc2C#N)cn1
InChIInChI=1S/C14H12FN5O/c1-2-17-13-8-18-12(7-19-13)14(21)20-11-4-3-10(15)5-9(11)6-16/h3-5,7-8H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyVWLKJTRZXFVEMJ-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.17
Rot. Bonds4

About N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide

N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide (PubChem CID 107376511) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
PubChem CID107376511
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC NameN-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)Nc2ccc(F)cc2C#N)cn1
InChIInChI=1S/C14H12FN5O/c1-2-17-13-8-18-12(7-19-13)14(21)20-11-4-3-10(15)5-9(11)6-16/h3-5,7-8H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyVWLKJTRZXFVEMJ-UHFFFAOYSA-N
XLogP2.17
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-cyanophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374422
N-(2-cyano-4-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105070921
N-(2-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271145
N-(2-cyano-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 82016209
N-(2,4-dibromophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107375297
N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107376370
N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide
CID 107375724
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
N-(2-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374242
N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 79953680
N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 82016198
N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374291

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide (CID 107376511) is N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide is CCNc1cnc(C(=O)Nc2ccc(F)cc2C#N)cn1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide?
The InChIKey is VWLKJTRZXFVEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-2-17-13-8-18-12(7-19-13)14(21)20-11-4-3-10(15)5-9(11)6-16/h3-5,7-8H,2H2,1H3,(H,17,19)(H,20,21).
What are the key properties of N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide?
N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107376511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).