5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide

C18H14Cl2N4O — CID 109289712

IUPAC5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C18H14Cl2N4O/c1-11-4-2-3-5-14(11)24-18(25)16-9-22-17(10-21-16)23-15-8-12(19)6-7-13(15)20/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyYJFDWZYPKAENCD-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.09
Rot. Bonds4

About 5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide

5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109289712) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
PubChem CID109289712
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C18H14Cl2N4O/c1-11-4-2-3-5-14(11)24-18(25)16-9-22-17(10-21-16)23-15-8-12(19)6-7-13(15)20/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyYJFDWZYPKAENCD-UHFFFAOYSA-N
XLogP5.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 109292659
5-(2,5-dichloroanilino)-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109292385
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289662
5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027
N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109291413
5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289697
5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289526
5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289716
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291361
5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
CID 109293026
N-(2,5-dichlorophenyl)-5-(2,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294510

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide (CID 109289712) is 5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide is Cc1ccccc1NC(=O)c1cnc(Nc2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of 5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is YJFDWZYPKAENCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-11-4-2-3-5-14(11)24-18(25)16-9-22-17(10-21-16)23-15-8-12(19)6-7-13(15)20/h2-10H,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).