N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C25H27N5O — CID 26394218

About N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide

N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 26394218) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 26394218
• Molecular Formula: C25H27N5O
• Molecular Weight: 413.53 g/mol
• Exact Mass: 413.22
• IUPAC Name: N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: Cc1cnccc1CN(C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12
• InChI: InChI=1S/C25H27N5O/c1-19-15-26-13-12-21(19)17-28(2)18-22-24(27-23-11-7-8-14-30(22)23)25(31)29(3)16-20-9-5-4-6-10-20/h4-15H,16-18H2,1-3H3
• InChIKey: VSMQPFGIPWGJHK-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 53.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.53
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 26394218) is N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1cnccc1CN(C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn12.

What is the InChIKey of N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is VSMQPFGIPWGJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-19-15-26-13-12-21(19)17-28(2)18-22-24(27-23-11-7-8-14-30(22)23)25(31)29(3)16-20-9-5-4-6-10-20/h4-15H,16-18H2,1-3H3.

What are the key properties of N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide?

N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 413.53 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 26394218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).