N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

C21H27N3O — CID 58769005

IUPACN-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(CCN2CCCC2)nc1
InChIInChI=1S/C21H27N3O/c25-21(22-13-6-9-18-7-2-1-3-8-18)19-10-11-20(23-17-19)12-16-24-14-4-5-15-24/h1-3,7-8,10-11,17H,4-6,9,12-16H2,(H,22,25)
InChIKeyFHVFZDWKKVVBMV-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.08
Rot. Bonds8

About N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 58769005) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID58769005
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(CCN2CCCC2)nc1
InChIInChI=1S/C21H27N3O/c25-21(22-13-6-9-18-7-2-1-3-8-18)19-10-11-20(23-17-19)12-16-24-14-4-5-15-24/h1-3,7-8,10-11,17H,4-6,9,12-16H2,(H,22,25)
InChIKeyFHVFZDWKKVVBMV-UHFFFAOYSA-N
XLogP3.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.08
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-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769
N-[(7Z,10Z,13Z,16Z,19Z,22Z)-4-oxopentacosa-7,10,13,16,19,22-hexaenyl]-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 161180871
N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154118
6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 53035860
N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide
CID 160735019
2-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089026
N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785
6-(2-phenylethyl)pyridine-3-carboxylic acid
CID 150942335

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 58769005) is N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is O=C(NCCCc1ccccc1)c1ccc(CCN2CCCC2)nc1.
What is the InChIKey of N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is FHVFZDWKKVVBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21(22-13-6-9-18-7-2-1-3-8-18)19-10-11-20(23-17-19)12-16-24-14-4-5-15-24/h1-3,7-8,10-11,17H,4-6,9,12-16H2,(H,22,25).
What are the key properties of N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58769005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).