N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

C18H21N5O2S — CID 136661997

About N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 136661997) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
• PubChem CID: 136661997
• Molecular Formula: C18H21N5O2S
• Molecular Weight: 371.47 g/mol
• Exact Mass: 371.14
• IUPAC Name: N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
• SMILES: Cc1cc(=O)[nH]c(SC(C)C(=O)N(C)Cc2c(C)nc3ccccn23)n1
• InChI: InChI=1S/C18H21N5O2S/c1-11-9-16(24)21-18(19-11)26-13(3)17(25)22(4)10-14-12(2)20-15-7-5-6-8-23(14)15/h5-9,13H,10H2,1-4H3,(H,19,21,24)
• InChIKey: XWOLYWGRHCHVGI-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 83.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.47
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?

The IUPAC name of N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 136661997) is N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

What is the SMILES notation for N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?

The canonical SMILES for N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is Cc1cc(=O)[nH]c(SC(C)C(=O)N(C)Cc2c(C)nc3ccccn23)n1.

What is the InChIKey of N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?

The InChIKey is XWOLYWGRHCHVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-11-9-16(24)21-18(19-11)26-13(3)17(25)22(4)10-14-12(2)20-15-7-5-6-8-23(14)15/h5-9,13H,10H2,1-4H3,(H,19,21,24).

What are the key properties of N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?

N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 371.47 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 136661997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).