2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide

C21H27N3O2 — CID 162652439

IUPAC2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCCCN2CCCC2)cc(-c2ccccc2C)n1
InChIInChI=1S/C21H27N3O2/c1-16-8-3-4-9-18(16)19-14-17(15-20(23-19)26-2)21(25)22-10-7-13-24-11-5-6-12-24/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,22,25)
InChIKeyCMYQWDMQWKHNNC-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.28
Rot. Bonds7

About 2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide

2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 162652439) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
PubChem CID162652439
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCCCN2CCCC2)cc(-c2ccccc2C)n1
InChIInChI=1S/C21H27N3O2/c1-16-8-3-4-9-18(16)19-14-17(15-20(23-19)26-2)21(25)22-10-7-13-24-11-5-6-12-24/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,22,25)
InChIKeyCMYQWDMQWKHNNC-UHFFFAOYSA-N
XLogP3.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (CID 162652439) is 2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is COc1cc(C(=O)NCCCN2CCCC2)cc(-c2ccccc2C)n1.
What is the InChIKey of 2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is CMYQWDMQWKHNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-8-3-4-9-18(16)19-14-17(15-20(23-19)26-2)21(25)22-10-7-13-24-11-5-6-12-24/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,22,25).
What are the key properties of 2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 162652439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).