N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide

C18H21N3O — CID 110257602

IUPACN-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(C2CCCN2)ccn1
InChIInChI=1S/C18H21N3O/c22-18(21-11-8-14-5-2-1-3-6-14)17-13-15(9-12-20-17)16-7-4-10-19-16/h1-3,5-6,9,12-13,16,19H,4,7-8,10-11H2,(H,21,22)
InChIKeySFQFIKAHRUZHRT-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.48
Rot. Bonds5

About N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide

N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide (PubChem CID 110257602) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide
PubChem CID110257602
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(C2CCCN2)ccn1
InChIInChI=1S/C18H21N3O/c22-18(21-11-8-14-5-2-1-3-6-14)17-13-15(9-12-20-17)16-7-4-10-19-16/h1-3,5-6,9,12-13,16,19H,4,7-8,10-11H2,(H,21,22)
InChIKeySFQFIKAHRUZHRT-UHFFFAOYSA-N
XLogP2.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide
CID 73440112
N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45178110
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3771092
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
N-[2-(3-chlorophenyl)ethyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3803357
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213383
4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089061

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide (CID 110257602) is N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide is O=C(NCCc1ccccc1)c1cc(C2CCCN2)ccn1.
What is the InChIKey of N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide?
The InChIKey is SFQFIKAHRUZHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(21-11-8-14-5-2-1-3-6-14)17-13-15(9-12-20-17)16-7-4-10-19-16/h1-3,5-6,9,12-13,16,19H,4,7-8,10-11H2,(H,21,22).
What are the key properties of N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide?
N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 110257602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).