N-[(3S,5S)-5-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

C16H20N4O2S — CID 71687127

About N-[(3S,5S)-5-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

N-[(3S,5S)-5-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 71687127) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(3S,5S)-5-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3S,5S)-5-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
• PubChem CID: 71687127
• Molecular Formula: C16H20N4O2S
• Molecular Weight: 332.43 g/mol
• Exact Mass: 332.13
• IUPAC Name: N-[(3S,5S)-5-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
• SMILES: Cc1ncsc1CN1C[C@@H](NC(=O)c2cccnc2)C[C@H]1CO
• InChI: InChI=1S/C16H20N4O2S/c1-11-15(23-10-18-11)8-20-7-13(5-14(20)9-21)19-16(22)12-3-2-4-17-6-12/h2-4,6,10,13-14,21H,5,7-9H2,1H3,(H,19,22)/t13-,14-/m0/s1
• InChIKey: DAFKXYFLEOXWPO-KBPBESRZSA-N
• XLogP: 1.21
• TPSA: 78.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.43
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(3S,5S)-5-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 71687127) is N-[(3S,5S)-5-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(3S,5S)-5-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is Cc1ncsc1CN1C[C@@H](NC(=O)c2cccnc2)C[C@H]1CO.

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

The InChIKey is DAFKXYFLEOXWPO-KBPBESRZSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-15(23-10-18-11)8-20-7-13(5-14(20)9-21)19-16(22)12-3-2-4-17-6-12/h2-4,6,10,13-14,21H,5,7-9H2,1H3,(H,19,22)/t13-,14-/m0/s1.

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

N-[(3S,5S)-5-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,5S)-5-(hydroxymethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71687127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).