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

C20H25N3O — CID 162647350

IUPAC2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)ccn1
InChIInChI=1S/C20H25N3O/c1-16-7-2-3-8-18(16)19-15-17(9-11-21-19)20(24)22-10-6-14-23-12-4-5-13-23/h2-3,7-9,11,15H,4-6,10,12-14H2,1H3,(H,22,24)
InChIKeyXYYQSTQGPYHBSQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.27
Rot. Bonds6

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

2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 162647350) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
PubChem CID162647350
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)ccn1
InChIInChI=1S/C20H25N3O/c1-16-7-2-3-8-18(16)19-15-17(9-11-21-19)20(24)22-10-6-14-23-12-4-5-13-23/h2-3,7-9,11,15H,4-6,10,12-14H2,1H3,(H,22,24)
InChIKeyXYYQSTQGPYHBSQ-UHFFFAOYSA-N
XLogP3.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (CID 162647350) is 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is Cc1ccccc1-c1cc(C(=O)NCCCN2CCCC2)ccn1.
What is the InChIKey of 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is XYYQSTQGPYHBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-7-2-3-8-18(16)19-15-17(9-11-21-19)20(24)22-10-6-14-23-12-4-5-13-23/h2-3,7-9,11,15H,4-6,10,12-14H2,1H3,(H,22,24).
What are the key properties of 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 162647350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).