N-[(1R)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-2-carboxamide

C19H19N5O2S — CID 136850858

About N-[(1R)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-2-carboxamide

N-[(1R)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-2-carboxamide (PubChem CID 136850858) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[(1R)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-2-carboxamide
• PubChem CID: 136850858
• Molecular Formula: C19H19N5O2S
• Molecular Weight: 381.46 g/mol
• Exact Mass: 381.13
• IUPAC Name: N-[(1R)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-2-carboxamide
• SMILES: CSCC[C@@H](NC(=O)c1ccccn1)c1cc(=O)[nH]c(-c2cccnc2)n1
• InChI: InChI=1S/C19H19N5O2S/c1-27-10-7-14(23-19(26)15-6-2-3-9-21-15)16-11-17(25)24-18(22-16)13-5-4-8-20-12-13/h2-6,8-9,11-12,14H,7,10H2,1H3,(H,23,26)(H,22,24,25)/t14-/m1/s1
• InChIKey: JQUNCGJIJCSYHT-CQSZACIVSA-N
• XLogP: 2.45
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.46
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-2-carboxamide?

The IUPAC name of N-[(1R)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-2-carboxamide (CID 136850858) is N-[(1R)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(1R)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-2-carboxamide?

The canonical SMILES for N-[(1R)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-2-carboxamide is CSCC[C@@H](NC(=O)c1ccccn1)c1cc(=O)[nH]c(-c2cccnc2)n1.

What is the InChIKey of N-[(1R)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-2-carboxamide?

The InChIKey is JQUNCGJIJCSYHT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-27-10-7-14(23-19(26)15-6-2-3-9-21-15)16-11-17(25)24-18(22-16)13-5-4-8-20-12-13/h2-6,8-9,11-12,14H,7,10H2,1H3,(H,23,26)(H,22,24,25)/t14-/m1/s1.

What are the key properties of N-[(1R)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-2-carboxamide?

N-[(1R)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 136850858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).