N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide

C19H17ClN4O — CID 109291413

IUPACN-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1cccc(Nc2cnc(C(=O)Nc3ccccc3Cl)cn2)c1C
InChIInChI=1S/C19H17ClN4O/c1-12-6-5-9-15(13(12)2)23-18-11-21-17(10-22-18)19(25)24-16-8-4-3-7-14(16)20/h3-11H,1-2H3,(H,22,23)(H,24,25)
InChIKeySXXKHOPHDSMAJI-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.74
Rot. Bonds4

About N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide

N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide (PubChem CID 109291413) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
PubChem CID109291413
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
SMILESCc1cccc(Nc2cnc(C(=O)Nc3ccccc3Cl)cn2)c1C
InChIInChI=1S/C19H17ClN4O/c1-12-6-5-9-15(13(12)2)23-18-11-21-17(10-22-18)19(25)24-16-8-4-3-7-14(16)20/h3-11H,1-2H3,(H,22,23)(H,24,25)
InChIKeySXXKHOPHDSMAJI-UHFFFAOYSA-N
XLogP4.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291406
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109291424
5-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 109292659
5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289712
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290118
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291396
5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289847
N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109279707
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291361
5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289697
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide (CID 109291413) is N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide is Cc1cccc(Nc2cnc(C(=O)Nc3ccccc3Cl)cn2)c1C.
What is the InChIKey of N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
The InChIKey is SXXKHOPHDSMAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-12-6-5-9-15(13(12)2)23-18-11-21-17(10-22-18)19(25)24-16-8-4-3-7-14(16)20/h3-11H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide?
N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109291413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).