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

C19H24N4O2S — CID 136850846

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

N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]cyclopentanecarboxamide (PubChem CID 136850846) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]cyclopentanecarboxamide
• PubChem CID: 136850846
• Molecular Formula: C19H24N4O2S
• Molecular Weight: 372.49 g/mol
• Exact Mass: 372.16
• IUPAC Name: N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]cyclopentanecarboxamide
• SMILES: CSCC[C@H](NC(=O)C1CCCC1)c1cc(=O)[nH]c(-c2cccnc2)n1
• InChI: InChI=1S/C19H24N4O2S/c1-26-10-8-15(22-19(25)13-5-2-3-6-13)16-11-17(24)23-18(21-16)14-7-4-9-20-12-14/h4,7,9,11-13,15H,2-3,5-6,8,10H2,1H3,(H,22,25)(H,21,23,24)/t15-/m0/s1
• InChIKey: DFTNOJOETKDTRJ-HNNXBMFYSA-N
• XLogP: 2.93
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.49
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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]cyclopentanecarboxamide?

The IUPAC name of N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]cyclopentanecarboxamide (CID 136850846) is N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]cyclopentanecarboxamide.

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

The canonical SMILES for N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]cyclopentanecarboxamide is CSCC[C@H](NC(=O)C1CCCC1)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]cyclopentanecarboxamide?

The InChIKey is DFTNOJOETKDTRJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-26-10-8-15(22-19(25)13-5-2-3-6-13)16-11-17(24)23-18(21-16)14-7-4-9-20-12-14/h4,7,9,11-13,15H,2-3,5-6,8,10H2,1H3,(H,22,25)(H,21,23,24)/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]cyclopentanecarboxamide?

N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]cyclopentanecarboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 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]cyclopentanecarboxamide is sourced from PubChem (CID 136850846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).