5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide

C24H25N5O2 — CID 58235317

IUPAC5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
SMILESCOCCCN(C)C(=O)c1ccc(-c2ccnc(C)c2C#Cc2ccc(N)nc2)cn1
InChIInChI=1S/C24H25N5O2/c1-17-20(8-5-18-6-10-23(25)28-15-18)21(11-12-26-17)19-7-9-22(27-16-19)24(30)29(2)13-4-14-31-3/h6-7,9-12,15-16H,4,13-14H2,1-3H3,(H2,25,28)
InChIKeyPILYZBZEROLKLU-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.94
Rot. Bonds6

About 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide

5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide (PubChem CID 58235317) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
PubChem CID58235317
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
SMILESCOCCCN(C)C(=O)c1ccc(-c2ccnc(C)c2C#Cc2ccc(N)nc2)cn1
InChIInChI=1S/C24H25N5O2/c1-17-20(8-5-18-6-10-23(25)28-15-18)21(11-12-26-17)19-7-9-22(27-16-19)24(30)29(2)13-4-14-31-3/h6-7,9-12,15-16H,4,13-14H2,1-3H3,(H2,25,28)
InChIKeyPILYZBZEROLKLU-UHFFFAOYSA-N
XLogP2.94
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide 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 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide (CID 58235317) is 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide is COCCCN(C)C(=O)c1ccc(-c2ccnc(C)c2C#Cc2ccc(N)nc2)cn1.
What is the InChIKey of 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide?
The InChIKey is PILYZBZEROLKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17-20(8-5-18-6-10-23(25)28-15-18)21(11-12-26-17)19-7-9-22(27-16-19)24(30)29(2)13-4-14-31-3/h6-7,9-12,15-16H,4,13-14H2,1-3H3,(H2,25,28).
What are the key properties of 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide?
5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 58235317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).