N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

C18H21N3O — CID 3417086

IUPACN-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cccnc1N1CCCC1
InChIInChI=1S/C18H21N3O/c22-18(20-12-10-15-7-2-1-3-8-15)16-9-6-11-19-17(16)21-13-4-5-14-21/h1-3,6-9,11H,4-5,10,12-14H2,(H,20,22)
InChIKeyMXGGFOKAKUFMDL-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.65
Rot. Bonds5

About N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 3417086) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID3417086
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cccnc1N1CCCC1
InChIInChI=1S/C18H21N3O/c22-18(20-12-10-15-7-2-1-3-8-15)16-9-6-11-19-17(16)21-13-4-5-14-21/h1-3,6-9,11H,4-5,10,12-14H2,(H,20,22)
InChIKeyMXGGFOKAKUFMDL-UHFFFAOYSA-N
XLogP2.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26996536
N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60611627
N-[2-(benzenesulfonyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 51123416
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119407815
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55757606
N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55799150
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 84576774
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55759344
2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39897733
N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 4792834

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 3417086) is N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is O=C(NCCc1ccccc1)c1cccnc1N1CCCC1.
What is the InChIKey of N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is MXGGFOKAKUFMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(20-12-10-15-7-2-1-3-8-15)16-9-6-11-19-17(16)21-13-4-5-14-21/h1-3,6-9,11H,4-5,10,12-14H2,(H,20,22).
What are the key properties of N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 3417086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).