N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrrolidin-1-ylpyridine-4-carboxamide

C24H27N5O3 — CID 58394291

About N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrrolidin-1-ylpyridine-4-carboxamide

N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 58394291) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrrolidin-1-ylpyridine-4-carboxamide
• PubChem CID: 58394291
• Molecular Formula: C24H27N5O3
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.21
• IUPAC Name: N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrrolidin-1-ylpyridine-4-carboxamide
• SMILES: COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCCC2)nc1OC
• InChI: InChI=1S/C24H27N5O3/c1-16-10-17(13-25-12-16)20-11-19(21(15-26-20)29-8-4-5-9-29)23(30)27-14-18-6-7-22(31-2)24(28-18)32-3/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,27,30)
• InChIKey: PETCVTGFELAAJK-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrrolidin-1-ylpyridine-4-carboxamide?

The IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrrolidin-1-ylpyridine-4-carboxamide (CID 58394291) is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrrolidin-1-ylpyridine-4-carboxamide.

What is the SMILES notation for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrrolidin-1-ylpyridine-4-carboxamide?

The canonical SMILES for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrrolidin-1-ylpyridine-4-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCCC2)nc1OC.

What is the InChIKey of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrrolidin-1-ylpyridine-4-carboxamide?

The InChIKey is PETCVTGFELAAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16-10-17(13-25-12-16)20-11-19(21(15-26-20)29-8-4-5-9-29)23(30)27-14-18-6-7-22(31-2)24(28-18)32-3/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,27,30).

What are the key properties of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrrolidin-1-ylpyridine-4-carboxamide?

N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 58394291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).