6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid

C14H10N4O2 — CID 66458597

IUPAC6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(Nc2cccc3cnccc23)n1
InChIInChI=1S/C14H10N4O2/c19-14(20)12-7-16-8-13(18-12)17-11-3-1-2-9-6-15-5-4-10(9)11/h1-8H,(H,17,18)(H,19,20)
InChIKeyIUPYSGFNNDYYLF-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.47
Rot. Bonds3

About 6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid

6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid (PubChem CID 66458597) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid
PubChem CID66458597
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(Nc2cccc3cnccc23)n1
InChIInChI=1S/C14H10N4O2/c19-14(20)12-7-16-8-13(18-12)17-11-3-1-2-9-6-15-5-4-10(9)11/h1-8H,(H,17,18)(H,19,20)
InChIKeyIUPYSGFNNDYYLF-UHFFFAOYSA-N
XLogP2.47
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(quinolin-5-ylamino)pyrazine-2-carboxylic acid
CID 66456935
3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid
CID 43808588
4-(isoquinolin-5-ylamino)benzoic acid
CID 62232370
6-(2,3-dichloroanilino)pyrazine-2-carboxylic acid
CID 66458555
6-(2-chloro-3-methylanilino)pyrazine-2-carboxylic acid
CID 114250898
6-(2-cyanoanilino)pyrazine-2-carboxylic acid
CID 66457354
3-amino-4-(isoquinolin-5-ylamino)benzoic acid
CID 60989394
5-chloro-2-(isoquinolin-5-ylamino)benzoic acid
CID 63537323
2-(isoquinolin-5-ylamino)-4-phenylbenzoic acid
CID 68958440
6-[2-(methoxymethyl)anilino]pyrazine-2-carboxylic acid
CID 66451826
2-(isoquinolin-5-ylamino)propanoic acid
CID 66172493
6-(3-methylanilino)pyrazine-2-carboxylic acid
CID 66455982

Frequently Asked Questions

What is the IUPAC name of 6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid (CID 66458597) is 6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid is O=C(O)c1cncc(Nc2cccc3cnccc23)n1.
What is the InChIKey of 6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid?
The InChIKey is IUPYSGFNNDYYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-14(20)12-7-16-8-13(18-12)17-11-3-1-2-9-6-15-5-4-10(9)11/h1-8H,(H,17,18)(H,19,20).
What are the key properties of 6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid?
6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66458597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).