4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid

C16H13N3O3 — CID 135186665

IUPAC4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid
SMILESCOc1ccc2ccnc(Nc3ccnc(C(=O)O)c3)c2c1
InChIInChI=1S/C16H13N3O3/c1-22-12-3-2-10-4-6-18-15(13(10)9-12)19-11-5-7-17-14(8-11)16(20)21/h2-9H,1H3,(H,20,21)(H,17,18,19)
InChIKeyJUMSDLRQFHFOQW-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.08
Rot. Bonds4

About 4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid

4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid (PubChem CID 135186665) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid
PubChem CID135186665
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid
SMILESCOc1ccc2ccnc(Nc3ccnc(C(=O)O)c3)c2c1
InChIInChI=1S/C16H13N3O3/c1-22-12-3-2-10-4-6-18-15(13(10)9-12)19-11-5-7-17-14(8-11)16(20)21/h2-9H,1H3,(H,20,21)(H,17,18,19)
InChIKeyJUMSDLRQFHFOQW-UHFFFAOYSA-N
XLogP3.08
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid
CID 158111701
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
2-[(7-methoxyisoquinolin-1-yl)amino]-2-methylpentanoic acid
CID 106535969
4-(6-methoxynaphthalen-2-yl)pyridine-2-carboxylic acid
CID 58138528
4-[(2-hydroxy-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63650620
4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid
CID 146673906
4-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 43326061
2-[(7-methoxyisoquinolin-1-yl)amino]butanedioic acid
CID 103756130
2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]-3-methylbutanoic acid
CID 106536242
2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]-2-methylbutanoic acid
CID 106536428
5-[(7-methoxyisoquinolin-1-yl)amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 135186889
N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide
CID 106539212

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid (CID 135186665) is 4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid is COc1ccc2ccnc(Nc3ccnc(C(=O)O)c3)c2c1.
What is the InChIKey of 4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is JUMSDLRQFHFOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-12-3-2-10-4-6-18-15(13(10)9-12)19-11-5-7-17-14(8-11)16(20)21/h2-9H,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid?
4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 135186665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).