2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide

C16H20ClN5O — CID 95766068

About 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide

2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (PubChem CID 95766068) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
• PubChem CID: 95766068
• Molecular Formula: C16H20ClN5O
• Molecular Weight: 333.82 g/mol
• Exact Mass: 333.14
• IUPAC Name: 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
• SMILES: Cc1cn2c(n1)CC[C@@H](NC(=O)CN(C)c1ccc(Cl)cn1)C2
• InChI: InChI=1S/C16H20ClN5O/c1-11-8-22-9-13(4-6-15(22)19-11)20-16(23)10-21(2)14-5-3-12(17)7-18-14/h3,5,7-8,13H,4,6,9-10H2,1-2H3,(H,20,23)/t13-/m1/s1
• InChIKey: XGTQXAAMGYZJKF-CYBMUJFWSA-N
• XLogP: 1.81
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.82
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?

The IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide (CID 95766068) is 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide.

What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?

The canonical SMILES for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is Cc1cn2c(n1)CC[C@@H](NC(=O)CN(C)c1ccc(Cl)cn1)C2.

What is the InChIKey of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?

The InChIKey is XGTQXAAMGYZJKF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-11-8-22-9-13(4-6-15(22)19-11)20-16(23)10-21(2)14-5-3-12(17)7-18-14/h3,5,7-8,13H,4,6,9-10H2,1-2H3,(H,20,23)/t13-/m1/s1.

What are the key properties of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide?

2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide has a molecular weight of 333.82 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide is sourced from PubChem (CID 95766068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).