N-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide

C22H29N3O — CID 44773304

IUPACN-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCCCCCCNC(=O)c1ccc(N2CCCC2c2ccccc2)nc1
InChIInChI=1S/C22H29N3O/c1-2-3-4-8-15-23-22(26)19-13-14-21(24-17-19)25-16-9-12-20(25)18-10-6-5-7-11-18/h5-7,10-11,13-14,17,20H,2-4,8-9,12,15-16H2,1H3,(H,23,26)
InChIKeyVIOROEKSRPQGGI-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.73
Rot. Bonds8

About N-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide

N-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 44773304) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID44773304
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCCCCCCNC(=O)c1ccc(N2CCCC2c2ccccc2)nc1
InChIInChI=1S/C22H29N3O/c1-2-3-4-8-15-23-22(26)19-13-14-21(24-17-19)25-16-9-12-20(25)18-10-6-5-7-11-18/h5-7,10-11,13-14,17,20H,2-4,8-9,12,15-16H2,1H3,(H,23,26)
InChIKeyVIOROEKSRPQGGI-UHFFFAOYSA-N
XLogP4.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.73
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-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-propylpyridine-3-carboxamide
CID 75463725
N-[2-(4-hydroxyphenyl)ethyl]-6-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 44772342
6-(2-ethylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153328
N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68737746
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 133345289
CID 131885807
CID 131885807
4-[(2,3-dihydroxy-5-phenylmorpholin-4-yl)methyl]-N-dodecylbenzamide
CID 141074384
6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
CID 45214399
6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 95200014
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 133377027

Frequently Asked Questions

What is the IUPAC name of N-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 44773304) is N-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide is CCCCCCNC(=O)c1ccc(N2CCCC2c2ccccc2)nc1.
What is the InChIKey of N-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is VIOROEKSRPQGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-3-4-8-15-23-22(26)19-13-14-21(24-17-19)25-16-9-12-20(25)18-10-6-5-7-11-18/h5-7,10-11,13-14,17,20H,2-4,8-9,12,15-16H2,1H3,(H,23,26).
What are the key properties of N-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 44773304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).