5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide

C11H9ClN4O — CID 113381822

IUPAC5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C11H9ClN4O/c12-7-3-1-2-4-8(7)16-11(17)9-5-15-10(13)6-14-9/h1-6H,(H2,13,15)(H,16,17)
InChIKeyIWQMLJVNVCSYOX-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.96
Rot. Bonds2

About 5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide

5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide (PubChem CID 113381822) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide
PubChem CID113381822
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C11H9ClN4O/c12-7-3-1-2-4-8(7)16-11(17)9-5-15-10(13)6-14-9/h1-6H,(H2,13,15)(H,16,17)
InChIKeyIWQMLJVNVCSYOX-UHFFFAOYSA-N
XLogP1.96
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 113381839
5-bromo-N-(2-chlorophenyl)pyrazine-2-carboxamide
CID 112520412
5-amino-N-(2-chloro-6-fluorophenyl)pyrazine-2-carboxamide
CID 107377043
5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 113381834
5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide
CID 107376052
5-bromo-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 62953356
N-(2-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374242
5-amino-N-[2-(2-methoxyethyl)phenyl]pyrazine-2-carboxamide
CID 107377211
N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109291413
N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283708
3-amino-N-(2-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316339
N-(2-chlorophenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109292634

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide (CID 113381822) is 5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide is Nc1cnc(C(=O)Nc2ccccc2Cl)cn1.
What is the InChIKey of 5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide?
The InChIKey is IWQMLJVNVCSYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-7-3-1-2-4-8(7)16-11(17)9-5-15-10(13)6-14-9/h1-6H,(H2,13,15)(H,16,17).
What are the key properties of 5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide?
5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide has a molecular weight of 248.67 g/mol, XLogP of 1.96, 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-chlorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 113381822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).