5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide

C18H14Cl2N4O2 — CID 109292718

IUPAC5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)Nc3cccc(Cl)c3)cn2)cc1Cl
InChIInChI=1S/C18H14Cl2N4O2/c1-26-16-6-5-13(8-14(16)20)23-17-10-21-15(9-22-17)18(25)24-12-4-2-3-11(19)7-12/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyBMPVUDQWDRFHLX-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.79
Rot. Bonds5

About 5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide

5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide (PubChem CID 109292718) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
PubChem CID109292718
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)Nc3cccc(Cl)c3)cn2)cc1Cl
InChIInChI=1S/C18H14Cl2N4O2/c1-26-16-6-5-13(8-14(16)20)23-17-10-21-15(9-22-17)18(25)24-12-4-2-3-11(19)7-12/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyBMPVUDQWDRFHLX-UHFFFAOYSA-N
XLogP4.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide
CID 109293290
N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109292721
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293298
5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292477
N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109292791
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535
5-(3-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293322
5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide
CID 109292809
N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide
CID 109279730
5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289456
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275950
5-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293597

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide (CID 109292718) is 5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide is COc1ccc(Nc2cnc(C(=O)Nc3cccc(Cl)c3)cn2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide?
The InChIKey is BMPVUDQWDRFHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c1-26-16-6-5-13(8-14(16)20)23-17-10-21-15(9-22-17)18(25)24-12-4-2-3-11(19)7-12/h2-10H,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide?
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide has a molecular weight of 389.24 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109292718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).