5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide

C19H16F2N4O — CID 109280871

IUPAC5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(Nc2ccc(F)cc2F)cn1)c1ccccc1
InChIInChI=1S/C19H16F2N4O/c1-12(13-5-3-2-4-6-13)24-19(26)17-10-23-18(11-22-17)25-16-8-7-14(20)9-15(16)21/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyGXDSWXWKXWGSOG-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.99
Rot. Bonds5

About 5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide

5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide (PubChem CID 109280871) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
PubChem CID109280871
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(Nc2ccc(F)cc2F)cn1)c1ccccc1
InChIInChI=1S/C19H16F2N4O/c1-12(13-5-3-2-4-6-13)24-19(26)17-10-23-18(11-22-17)25-16-8-7-14(20)9-15(16)21/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyGXDSWXWKXWGSOG-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156252
5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280827
5-(2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280804
N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109280820
5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280832
N-benzyl-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109279773
N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291993
N-(2,4-difluorophenyl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293851
N-(1-phenylethyl)-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109280869
5-(2-fluoroanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188905
5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280854
5-(2,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284313

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide (CID 109280871) is 5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide is CC(NC(=O)c1cnc(Nc2ccc(F)cc2F)cn1)c1ccccc1.
What is the InChIKey of 5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is GXDSWXWKXWGSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-12(13-5-3-2-4-6-13)24-19(26)17-10-23-18(11-22-17)25-16-8-7-14(20)9-15(16)21/h2-12H,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide?
5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109280871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).