4-[(3R)-3-hydroxypiperidine-1-carbonyl]-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide

C23H26N6O3S — CID 165378907

About 4-[(3R)-3-hydroxypiperidine-1-carbonyl]-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide

4-[(3R)-3-hydroxypiperidine-1-carbonyl]-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide (PubChem CID 165378907) has the molecular formula C23H26N6O3S and a molecular weight of 466.57 g/mol. Its IUPAC name is 4-[(3R)-3-hydroxypiperidine-1-carbonyl]-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(3R)-3-hydroxypiperidine-1-carbonyl]-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide
• PubChem CID: 165378907
• Molecular Formula: C23H26N6O3S
• Molecular Weight: 466.57 g/mol
• Exact Mass: 466.18
• IUPAC Name: 4-[(3R)-3-hydroxypiperidine-1-carbonyl]-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide
• SMILES: C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CCC[C@@H](O)C3)ccn2)c1
• InChI: InChI=1S/C23H26N6O3S/c1-15(33-23-27-25-14-28(23)2)16-5-3-6-18(11-16)26-21(31)20-12-17(8-9-24-20)22(32)29-10-4-7-19(30)13-29/h3,5-6,8-9,11-12,14-15,19,30H,4,7,10,13H2,1-2H3,(H,26,31)/t15-,19+/m0/s1
• InChIKey: HOOUXEJLCVFIHQ-HNAYVOBHSA-N
• XLogP: 2.91
• TPSA: 113.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.57
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-hydroxypiperidine-1-carbonyl]-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide?

The IUPAC name of 4-[(3R)-3-hydroxypiperidine-1-carbonyl]-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide (CID 165378907) is 4-[(3R)-3-hydroxypiperidine-1-carbonyl]-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-[(3R)-3-hydroxypiperidine-1-carbonyl]-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for 4-[(3R)-3-hydroxypiperidine-1-carbonyl]-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide is C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3CCC[C@@H](O)C3)ccn2)c1.

What is the InChIKey of 4-[(3R)-3-hydroxypiperidine-1-carbonyl]-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide?

The InChIKey is HOOUXEJLCVFIHQ-HNAYVOBHSA-N. The full InChI is InChI=1S/C23H26N6O3S/c1-15(33-23-27-25-14-28(23)2)16-5-3-6-18(11-16)26-21(31)20-12-17(8-9-24-20)22(32)29-10-4-7-19(30)13-29/h3,5-6,8-9,11-12,14-15,19,30H,4,7,10,13H2,1-2H3,(H,26,31)/t15-,19+/m0/s1.

What are the key properties of 4-[(3R)-3-hydroxypiperidine-1-carbonyl]-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide?

4-[(3R)-3-hydroxypiperidine-1-carbonyl]-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide has a molecular weight of 466.57 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-3-hydroxypiperidine-1-carbonyl]-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 165378907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).