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

C19H19N5O2S — CID 136850861

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

N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-3-carboxamide (PubChem CID 136850861) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-3-carboxamide
• PubChem CID: 136850861
• Molecular Formula: C19H19N5O2S
• Molecular Weight: 381.46 g/mol
• Exact Mass: 381.13
• IUPAC Name: N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-3-carboxamide
• SMILES: CSCC[C@H](NC(=O)c1cccnc1)c1cc(=O)[nH]c(-c2cccnc2)n1
• InChI: InChI=1S/C19H19N5O2S/c1-27-9-6-15(23-19(26)14-5-3-8-21-12-14)16-10-17(25)24-18(22-16)13-4-2-7-20-11-13/h2-5,7-8,10-12,15H,6,9H2,1H3,(H,23,26)(H,22,24,25)/t15-/m0/s1
• InChIKey: RSKZTKWOJPJKDC-HNNXBMFYSA-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-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-3-carboxamide?

The IUPAC name of N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-3-carboxamide (CID 136850861) is N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-3-carboxamide is CSCC[C@H](NC(=O)c1cccnc1)c1cc(=O)[nH]c(-c2cccnc2)n1.

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

The InChIKey is RSKZTKWOJPJKDC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-27-9-6-15(23-19(26)14-5-3-8-21-12-14)16-10-17(25)24-18(22-16)13-4-2-7-20-11-13/h2-5,7-8,10-12,15H,6,9H2,1H3,(H,23,26)(H,22,24,25)/t15-/m0/s1.

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

N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-3-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-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 136850861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).