5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide

C19H16F2N4O — CID 109280085

IUPAC5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C19H16F2N4O/c1-12-4-2-3-5-13(12)9-24-19(26)17-10-23-18(11-22-17)25-14-6-7-15(20)16(21)8-14/h2-8,10-11H,9H2,1H3,(H,23,25)(H,24,26)
InChIKeyLQVUUVWBCIQPJZ-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.74
Rot. Bonds5

About 5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide

5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109280085) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109280085
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C19H16F2N4O/c1-12-4-2-3-5-13(12)9-24-19(26)17-10-23-18(11-22-17)25-14-6-7-15(20)16(21)8-14/h2-8,10-11H,9H2,1H3,(H,23,25)(H,24,26)
InChIKeyLQVUUVWBCIQPJZ-UHFFFAOYSA-N
XLogP3.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282276
5-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280053
N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109280021
5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281399
N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109281332
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023246
5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113037616
5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280063
5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290108
N-(2-tert-butylphenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109292255
5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271771

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (CID 109280085) is 5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide is Cc1ccccc1CNC(=O)c1cnc(Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of 5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is LQVUUVWBCIQPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-12-4-2-3-5-13(12)9-24-19(26)17-10-23-18(11-22-17)25-14-6-7-15(20)16(21)8-14/h2-8,10-11H,9H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109280085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).