6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide

C17H22N4O2S — CID 129344134

About 6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide

6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 129344134) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
• PubChem CID: 129344134
• Molecular Formula: C17H22N4O2S
• Molecular Weight: 346.46 g/mol
• Exact Mass: 346.15
• IUPAC Name: 6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)N(Cc2scnc2C)C[C@H]2CCNC2)c(=O)[nH]1
• InChI: InChI=1S/C17H22N4O2S/c1-11-3-4-14(16(22)20-11)17(23)21(8-13-5-6-18-7-13)9-15-12(2)19-10-24-15/h3-4,10,13,18H,5-9H2,1-2H3,(H,20,22)/t13-/m0/s1
• InChIKey: YOLRWQFTURAJSB-ZDUSSCGKSA-N
• XLogP: 1.70
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.46
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?

The IUPAC name of 6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide (CID 129344134) is 6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide.

What is the SMILES notation for 6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?

The canonical SMILES for 6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)N(Cc2scnc2C)C[C@H]2CCNC2)c(=O)[nH]1.

What is the InChIKey of 6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?

The InChIKey is YOLRWQFTURAJSB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-3-4-14(16(22)20-11)17(23)21(8-13-5-6-18-7-13)9-15-12(2)19-10-24-15/h3-4,10,13,18H,5-9H2,1-2H3,(H,20,22)/t13-/m0/s1.

What are the key properties of 6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?

6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 129344134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).