6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C22H29N3O2 — CID 56862503

About 6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 56862503) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
• PubChem CID: 56862503
• Molecular Formula: C22H29N3O2
• Molecular Weight: 367.49 g/mol
• Exact Mass: 367.23
• IUPAC Name: 6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
• SMILES: CC(C)CN1CCC(CNC(=O)c2ccc(-c3cccc(CO)c3)nc2)C1
• InChI: InChI=1S/C22H29N3O2/c1-16(2)13-25-9-8-18(14-25)11-24-22(27)20-6-7-21(23-12-20)19-5-3-4-17(10-19)15-26/h3-7,10,12,16,18,26H,8-9,11,13-15H2,1-2H3,(H,24,27)
• InChIKey: ZRTVZUJAQHEELF-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.49
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The IUPAC name of 6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 56862503) is 6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is CC(C)CN1CCC(CNC(=O)c2ccc(-c3cccc(CO)c3)nc2)C1.

What is the InChIKey of 6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

The InChIKey is ZRTVZUJAQHEELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(2)13-25-9-8-18(14-25)11-24-22(27)20-6-7-21(23-12-20)19-5-3-4-17(10-19)15-26/h3-7,10,12,16,18,26H,8-9,11,13-15H2,1-2H3,(H,24,27).

What are the key properties of 6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?

6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56862503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).