5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide

C19H17ClN4O — CID 109291594

IUPAC5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(Nc3ccccc3Cl)cn2)cc1
InChIInChI=1S/C19H17ClN4O/c1-2-13-7-9-14(10-8-13)23-19(25)17-11-22-18(12-21-17)24-16-6-4-3-5-15(16)20/h3-12H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyCRLHNGZXAJJYAM-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.69
Rot. Bonds5

About 5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide

5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide (PubChem CID 109291594) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide
PubChem CID109291594
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(Nc3ccccc3Cl)cn2)cc1
InChIInChI=1S/C19H17ClN4O/c1-2-13-7-9-14(10-8-13)23-19(25)17-11-22-18(12-21-17)24-16-6-4-3-5-15(16)20/h3-12H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyCRLHNGZXAJJYAM-UHFFFAOYSA-N
XLogP4.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289847
5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 109292662
methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109291565
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282039
ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109291635
5-(2,3-dichloroanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292522
N-(2-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374242
5-(2-ethoxyanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290053
5-(2-ethoxyanilino)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292013
5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 109292659
N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109291413
5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290079

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide (CID 109291594) is 5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide is CCc1ccc(NC(=O)c2cnc(Nc3ccccc3Cl)cn2)cc1.
What is the InChIKey of 5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide?
The InChIKey is CRLHNGZXAJJYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-2-13-7-9-14(10-8-13)23-19(25)17-11-22-18(12-21-17)24-16-6-4-3-5-15(16)20/h3-12H,2H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide?
5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109291594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).