6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide

C24H25N3O3 — CID 166683269

IUPAC6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(OC2CCN(c3ccc(-c4ccccc4)cc3CO)C2)nc1
InChIInChI=1S/C24H25N3O3/c1-25-24(29)19-8-10-23(26-14-19)30-21-11-12-27(15-21)22-9-7-18(13-20(22)16-28)17-5-3-2-4-6-17/h2-10,13-14,21,28H,11-12,15-16H2,1H3,(H,25,29)
InChIKeyLBCBJDCEBMGERA-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.26
Rot. Bonds6

About 6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide

6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide (PubChem CID 166683269) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide
PubChem CID166683269
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(OC2CCN(c3ccc(-c4ccccc4)cc3CO)C2)nc1
InChIInChI=1S/C24H25N3O3/c1-25-24(29)19-8-10-23(26-14-19)30-21-11-12-27(15-21)22-9-7-18(13-20(22)16-28)17-5-3-2-4-6-17/h2-10,13-14,21,28H,11-12,15-16H2,1H3,(H,25,29)
InChIKeyLBCBJDCEBMGERA-UHFFFAOYSA-N
XLogP3.26
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide (CID 166683269) is 6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(OC2CCN(c3ccc(-c4ccccc4)cc3CO)C2)nc1.
What is the InChIKey of 6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide?
The InChIKey is LBCBJDCEBMGERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-25-24(29)19-8-10-23(26-14-19)30-21-11-12-27(15-21)22-9-7-18(13-20(22)16-28)17-5-3-2-4-6-17/h2-10,13-14,21,28H,11-12,15-16H2,1H3,(H,25,29).
What are the key properties of 6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide?
6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 166683269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).