4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide

C25H28N4O2 — CID 123824767

IUPAC4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide
SMILESCN(Cc1cnccn1)C(=O)c1ccc(CC2CCC(C(O)c3ccccc3)N2)cc1
InChIInChI=1S/C25H28N4O2/c1-29(17-22-16-26-13-14-27-22)25(31)20-9-7-18(8-10-20)15-21-11-12-23(28-21)24(30)19-5-3-2-4-6-19/h2-10,13-14,16,21,23-24,28,30H,11-12,15,17H2,1H3
InChIKeyLNFPDMKCSLBEIF-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.15
Rot. Bonds7

About 4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide

4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide (PubChem CID 123824767) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide
PubChem CID123824767
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide
SMILESCN(Cc1cnccn1)C(=O)c1ccc(CC2CCC(C(O)c3ccccc3)N2)cc1
InChIInChI=1S/C25H28N4O2/c1-29(17-22-16-26-13-14-27-22)25(31)20-9-7-18(8-10-20)15-21-11-12-23(28-21)24(30)19-5-3-2-4-6-19/h2-10,13-14,16,21,23-24,28,30H,11-12,15,17H2,1H3
InChIKeyLNFPDMKCSLBEIF-UHFFFAOYSA-N
XLogP3.15
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide?
The IUPAC name of 4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide (CID 123824767) is 4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide is CN(Cc1cnccn1)C(=O)c1ccc(CC2CCC(C(O)c3ccccc3)N2)cc1.
What is the InChIKey of 4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide?
The InChIKey is LNFPDMKCSLBEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-29(17-22-16-26-13-14-27-22)25(31)20-9-7-18(8-10-20)15-21-11-12-23(28-21)24(30)19-5-3-2-4-6-19/h2-10,13-14,16,21,23-24,28,30H,11-12,15,17H2,1H3.
What are the key properties of 4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide?
4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide has a molecular weight of 416.53 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide is sourced from PubChem (CID 123824767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).