5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide

C13H12ClN3O2 — CID 103817028

IUPAC5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C13H12ClN3O2/c1-8-3-4-11(19-2)9(5-8)17-13(18)10-6-16-12(14)7-15-10/h3-7H,1-2H3,(H,17,18)
InChIKeyVKNVZQQXGNJCOV-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.70
Rot. Bonds3

About 5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide

5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide (PubChem CID 103817028) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
PubChem CID103817028
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C13H12ClN3O2/c1-8-3-4-11(19-2)9(5-8)17-13(18)10-6-16-12(14)7-15-10/h3-7H,1-2H3,(H,17,18)
InChIKeyVKNVZQQXGNJCOV-UHFFFAOYSA-N
XLogP2.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109292670
5-anilino-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109289569
5-hydrazinyl-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 104642218
5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 103803276
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292055
5-(4-ethylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109278676
5-(ethylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 104639774
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
N-(2-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109292615
5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109279896
N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide
CID 113265025
N-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109200105

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide (CID 103817028) is 5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is VKNVZQQXGNJCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-3-4-11(19-2)9(5-8)17-13(18)10-6-16-12(14)7-15-10/h3-7H,1-2H3,(H,17,18).
What are the key properties of 5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide?
5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103817028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).