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

C20H25N3O — CID 53035860

IUPAC6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCCCN3CCCC3)cn2)cc1
InChIInChI=1S/C20H25N3O/c1-16-5-7-17(8-6-16)19-10-9-18(15-22-19)20(24)21-11-4-14-23-12-2-3-13-23/h5-10,15H,2-4,11-14H2,1H3,(H,21,24)
InChIKeyZSAFLSBPHMFNPD-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.27
Rot. Bonds6

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

6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 53035860) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
PubChem CID53035860
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCCCN3CCCC3)cn2)cc1
InChIInChI=1S/C20H25N3O/c1-16-5-7-17(8-6-16)19-10-9-18(15-22-19)20(24)21-11-4-14-23-12-2-3-13-23/h5-10,15H,2-4,11-14H2,1H3,(H,21,24)
InChIKeyZSAFLSBPHMFNPD-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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Related Compounds

6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 119064664
4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 59406782
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
6-(4-methyl-1,3-thiazol-5-yl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 110111087
6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 67070349
6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 23090893
1-tert-butyl-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
CID 51085868
6-amino-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 70906155
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84570657
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide (CID 53035860) is 6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide is Cc1ccc(-c2ccc(C(=O)NCCCN3CCCC3)cn2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is ZSAFLSBPHMFNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-5-7-17(8-6-16)19-10-9-18(15-22-19)20(24)21-11-4-14-23-12-2-3-13-23/h5-10,15H,2-4,11-14H2,1H3,(H,21,24).
What are the key properties of 6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide?
6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-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 6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 53035860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).