5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide

C18H15ClN4O — CID 109289847

IUPAC5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3ccccc3Cl)cn2)c1
InChIInChI=1S/C18H15ClN4O/c1-12-5-4-6-13(9-12)22-18(24)16-10-21-17(11-20-16)23-15-8-3-2-7-14(15)19/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyHYWHLDNYUGOAIL-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.43
Rot. Bonds4

About 5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide

5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109289847) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
PubChem CID109289847
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3ccccc3Cl)cn2)c1
InChIInChI=1S/C18H15ClN4O/c1-12-5-4-6-13(9-12)22-18(24)16-10-21-17(11-20-16)23-15-8-3-2-7-14(15)19/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyHYWHLDNYUGOAIL-UHFFFAOYSA-N
XLogP4.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109290002
5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 109292662
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890
5-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109292670
5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109291594
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
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615
methyl 4-chloro-3-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109289976
N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109292634

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide (CID 109289847) is 5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide is Cc1cccc(NC(=O)c2cnc(Nc3ccccc3Cl)cn2)c1.
What is the InChIKey of 5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is HYWHLDNYUGOAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-12-5-4-6-13(9-12)22-18(24)16-10-21-17(11-20-16)23-15-8-3-2-7-14(15)19/h2-11H,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).