5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide

C12H11ClN4O — CID 107376052

IUPAC5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(N)cn1
InChIInChI=1S/C12H11ClN4O/c1-7-3-2-4-8(13)11(7)17-12(18)9-5-16-10(14)6-15-9/h2-6H,1H3,(H2,14,16)(H,17,18)
InChIKeyBDBBGRNNZTYEHA-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.27
Rot. Bonds2

About 5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide

5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide (PubChem CID 107376052) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide
PubChem CID107376052
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(N)cn1
InChIInChI=1S/C12H11ClN4O/c1-7-3-2-4-8(13)11(7)17-12(18)9-5-16-10(14)6-15-9/h2-6H,1H3,(H2,14,16)(H,17,18)
InChIKeyBDBBGRNNZTYEHA-UHFFFAOYSA-N
XLogP2.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-chloro-6-fluorophenyl)pyrazine-2-carboxamide
CID 107377043
5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide
CID 66255147
5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide
CID 113381822
N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide
CID 141229709
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
5-bromo-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 112520643
N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66255718
4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 66254121
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
N-(2-chloro-6-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 66256413
5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide
CID 107603346
N-(2-chloro-6-methylphenyl)-6-(2-methylphenyl)pyridine-3-carboxamide
CID 58639460

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide (CID 107376052) is 5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(N)cn1.
What is the InChIKey of 5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is BDBBGRNNZTYEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-7-3-2-4-8(13)11(7)17-12(18)9-5-16-10(14)6-15-9/h2-6H,1H3,(H2,14,16)(H,17,18).
What are the key properties of 5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide?
5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107376052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).