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

C16H13N3O2 — CID 158111701

IUPAC4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid
SMILESCc1ccc2ccnc(Nc3ccnc(C(=O)O)c3)c2c1
InChIInChI=1S/C16H13N3O2/c1-10-2-3-11-4-6-18-15(13(11)8-10)19-12-5-7-17-14(9-12)16(20)21/h2-9H,1H3,(H,20,21)(H,17,18,19)
InChIKeyFQNBCVLJUZXJMI-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.38
Rot. Bonds3

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

4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid (PubChem CID 158111701) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid
PubChem CID158111701
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid
SMILESCc1ccc2ccnc(Nc3ccnc(C(=O)O)c3)c2c1
InChIInChI=1S/C16H13N3O2/c1-10-2-3-11-4-6-18-15(13(11)8-10)19-12-5-7-17-14(9-12)16(20)21/h2-9H,1H3,(H,20,21)(H,17,18,19)
InChIKeyFQNBCVLJUZXJMI-UHFFFAOYSA-N
XLogP3.38
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(7-methoxyisoquinolin-1-yl)amino]pyridine-2-carboxylic acid
CID 135186665
4-(2,4-dimethylanilino)pyridine-2-carboxylic acid
CID 43326120
N,7-dimethylisoquinolin-1-amine
CID 59108894
4-(2,4,5-trichloroanilino)pyridine-2-carboxylic acid
CID 43326079
4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid
CID 63650622
4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651310
4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944792
4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid
CID 146673906
4-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 43326061
4-(2,6-difluoro-3-methylanilino)pyridine-2-carboxylic acid
CID 82819801
4-(2,5-difluoro-4-methylanilino)pyridine-2-carboxylic acid
CID 103586357
4-(4-fluoro-2-methylanilino)pyridine-2-carboxylic acid
CID 43326134

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid (CID 158111701) is 4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid is Cc1ccc2ccnc(Nc3ccnc(C(=O)O)c3)c2c1.
What is the InChIKey of 4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is FQNBCVLJUZXJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-2-3-11-4-6-18-15(13(11)8-10)19-12-5-7-17-14(9-12)16(20)21/h2-9H,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid?
4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methylisoquinolin-1-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 158111701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).