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

C21H28N4O — CID 162651920

IUPAC2-(methylamino)-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCCN2CCCC2)cc(-c2ccccc2C)n1
InChIInChI=1S/C21H28N4O/c1-16-8-3-4-9-18(16)19-14-17(15-20(22-2)24-19)21(26)23-10-7-13-25-11-5-6-12-25/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyGOYDFAOBDABZJT-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.31
Rot. Bonds7

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

2-(methylamino)-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 162651920) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(methylamino)-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
PubChem CID162651920
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-(methylamino)-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCCN2CCCC2)cc(-c2ccccc2C)n1
InChIInChI=1S/C21H28N4O/c1-16-8-3-4-9-18(16)19-14-17(15-20(22-2)24-19)21(26)23-10-7-13-25-11-5-6-12-25/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyGOYDFAOBDABZJT-UHFFFAOYSA-N
XLogP3.31
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
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-(methylamino)-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(methylamino)-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (CID 162651920) is 2-(methylamino)-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(methylamino)-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is CNc1cc(C(=O)NCCCN2CCCC2)cc(-c2ccccc2C)n1.
What is the InChIKey of 2-(methylamino)-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is GOYDFAOBDABZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16-8-3-4-9-18(16)19-14-17(15-20(22-2)24-19)21(26)23-10-7-13-25-11-5-6-12-25/h3-4,8-9,14-15H,5-7,10-13H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of 2-(methylamino)-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
2-(methylamino)-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 162651920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).