5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid

C13H10N4O3 — CID 107468716

IUPAC5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid
SMILESCOc1cccc(C#N)c1Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C13H10N4O3/c1-20-10-4-2-3-8(5-14)12(10)17-11-7-15-9(6-16-11)13(18)19/h2-4,6-7H,1H3,(H,16,17)(H,18,19)
InChIKeyCBYPHSMQQISFFO-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.80
Rot. Bonds4

About 5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid

5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid (PubChem CID 107468716) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid
PubChem CID107468716
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid
SMILESCOc1cccc(C#N)c1Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C13H10N4O3/c1-20-10-4-2-3-8(5-14)12(10)17-11-7-15-9(6-16-11)13(18)19/h2-4,6-7H,1H3,(H,16,17)(H,18,19)
InChIKeyCBYPHSMQQISFFO-UHFFFAOYSA-N
XLogP1.80
TPSA108.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid
CID 107468727
3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid
CID 107468702
5-amino-N-(2-cyano-6-methoxyphenyl)pyridine-2-carboxamide
CID 107466429
2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 107468706
methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate
CID 114059701
5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid
CID 107791186
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
2-[(5-bromopyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 107469799
2-[(5-aminopyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 107466532
N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 107468068
5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid
CID 107372598
N-(2-cyanophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293558

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid (CID 107468716) is 5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid is COc1cccc(C#N)c1Nc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid?
The InChIKey is CBYPHSMQQISFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c1-20-10-4-2-3-8(5-14)12(10)17-11-7-15-9(6-16-11)13(18)19/h2-4,6-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid?
5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid has a molecular weight of 270.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 107468716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).