N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

C19H18N4O — CID 135342628

IUPACN-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1cc(N)c2cnc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C19H18N4O/c1-11-4-5-21-9-15(11)13-6-14-8-18(23-19(24)12-2-3-12)22-10-16(14)17(20)7-13/h4-10,12H,2-3,20H2,1H3,(H,22,23,24)
InChIKeySOSUUZWUFKJLGF-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.54
Rot. Bonds3

About N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 135342628) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID135342628
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1cc(N)c2cnc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C19H18N4O/c1-11-4-5-21-9-15(11)13-6-14-8-18(23-19(24)12-2-3-12)22-10-16(14)17(20)7-13/h4-10,12H,2-3,20H2,1H3,(H,22,23,24)
InChIKeySOSUUZWUFKJLGF-UHFFFAOYSA-N
XLogP3.54
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 135342628) is N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is Cc1ccncc1-c1cc(N)c2cnc(NC(=O)C3CC3)cc2c1.
What is the InChIKey of N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is SOSUUZWUFKJLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-11-4-5-21-9-15(11)13-6-14-8-18(23-19(24)12-2-3-12)22-10-16(14)17(20)7-13/h4-10,12H,2-3,20H2,1H3,(H,22,23,24).
What are the key properties of N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135342628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).