N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide

C18H15ClN4O2 — CID 109292721

IUPACN-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2cnc(C(=O)Nc3cccc(Cl)c3)cn2)c1
InChIInChI=1S/C18H15ClN4O2/c1-25-15-7-3-6-14(9-15)22-17-11-20-16(10-21-17)18(24)23-13-5-2-4-12(19)8-13/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyJWPJZGWKIYZPBV-UHFFFAOYSA-N
MW354.80 g/mol
LogP4.13
Rot. Bonds5

About N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide

N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide (PubChem CID 109292721) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
PubChem CID109292721
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC NameN-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2cnc(C(=O)Nc3cccc(Cl)c3)cn2)c1
InChIInChI=1S/C18H15ClN4O2/c1-25-15-7-3-6-14(9-15)22-17-11-20-16(10-21-17)18(24)23-13-5-2-4-12(19)8-13/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyJWPJZGWKIYZPBV-UHFFFAOYSA-N
XLogP4.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293534
N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109290986
5-(3,5-dimethylanilino)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109291177
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 109292718
N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109292791
5-hydrazinyl-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 107377927
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535
5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293523
2-(3-chloroanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177464
methyl 2-[[5-(3-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293535
5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide
CID 109292809
N-(2-cyanophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293558

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide (CID 109292721) is N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide is COc1cccc(Nc2cnc(C(=O)Nc3cccc(Cl)c3)cn2)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide?
The InChIKey is JWPJZGWKIYZPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-25-15-7-3-6-14(9-15)22-17-11-20-16(10-21-17)18(24)23-13-5-2-4-12(19)8-13/h2-11H,1H3,(H,21,22)(H,23,24).
What are the key properties of N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide?
N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109292721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).