N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide

C19H16F2N4O — CID 109284021

IUPACN-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(NCCc2ccccc2)cn1
InChIInChI=1S/C19H16F2N4O/c20-15-7-6-14(10-16(15)21)25-19(26)17-11-24-18(12-23-17)22-9-8-13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,22,24)(H,25,26)
InChIKeyDUMIWTMVMBPCOB-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.66
Rot. Bonds6

About N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide

N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide (PubChem CID 109284021) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
PubChem CID109284021
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(NCCc2ccccc2)cn1
InChIInChI=1S/C19H16F2N4O/c20-15-7-6-14(10-16(15)21)25-19(26)17-11-24-18(12-23-17)22-9-8-13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,22,24)(H,25,26)
InChIKeyDUMIWTMVMBPCOB-UHFFFAOYSA-N
XLogP3.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287128
N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283961
N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283984
N-(3-acetylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283988
N-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
N-(3-chloro-4-methoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283971
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284529
N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109285861
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084
5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109289157
N-(2-methylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283937

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide (CID 109284021) is N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cnc(NCCc2ccccc2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide?
The InChIKey is DUMIWTMVMBPCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c20-15-7-6-14(10-16(15)21)25-19(26)17-11-24-18(12-23-17)22-9-8-13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,22,24)(H,25,26).
What are the key properties of N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide?
N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109284021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).