(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide

C16H16N6O3S — CID 136857791

About (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide

(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 136857791) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
• PubChem CID: 136857791
• Molecular Formula: C16H16N6O3S
• Molecular Weight: 372.41 g/mol
• Exact Mass: 372.10
• IUPAC Name: (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
• SMILES: Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NCc2nc(-c3cccnc3)no2)n1
• InChI: InChI=1S/C16H16N6O3S/c1-9-6-12(23)20-16(19-9)26-10(2)15(24)18-8-13-21-14(22-25-13)11-4-3-5-17-7-11/h3-7,10H,8H2,1-2H3,(H,18,24)(H,19,20,23)/t10-/m1/s1
• InChIKey: FSFOTKTWZZYTMD-SNVBAGLBSA-N
• XLogP: 1.32
• TPSA: 126.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.41
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?

The IUPAC name of (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 136857791) is (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

What is the SMILES notation for (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?

The canonical SMILES for (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NCc2nc(-c3cccnc3)no2)n1.

What is the InChIKey of (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?

The InChIKey is FSFOTKTWZZYTMD-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-9-6-12(23)20-16(19-9)26-10(2)15(24)18-8-13-21-14(22-25-13)11-4-3-5-17-7-11/h3-7,10H,8H2,1-2H3,(H,18,24)(H,19,20,23)/t10-/m1/s1.

What are the key properties of (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?

(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 372.41 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 136857791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).