N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide

C18H21N3O — CID 109225708

IUPACN-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C18H21N3O/c1-14(15-7-3-2-4-8-15)20-18(22)16-11-17(13-19-12-16)21-9-5-6-10-21/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,20,22)
InChIKeyCJGQATRGDDVRET-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.17
Rot. Bonds4

About N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide

N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 109225708) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID109225708
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C18H21N3O/c1-14(15-7-3-2-4-8-15)20-18(22)16-11-17(13-19-12-16)21-9-5-6-10-21/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,20,22)
InChIKeyCJGQATRGDDVRET-UHFFFAOYSA-N
XLogP3.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389
5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223207
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 109223224
5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109105362
5-morpholin-4-yl-N-propan-2-ylpyridine-3-carboxamide
CID 109223170
N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109156245
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 109223246
5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232865
5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232823
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166234095

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide (CID 109225708) is N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide is CC(NC(=O)c1cncc(N2CCCC2)c1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is CJGQATRGDDVRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14(15-7-3-2-4-8-15)20-18(22)16-11-17(13-19-12-16)21-9-5-6-10-21/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,20,22).
What are the key properties of N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 109225708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).