N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide

C21H29N5O2S — CID 30193218

About N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 30193218) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
• PubChem CID: 30193218
• Molecular Formula: C21H29N5O2S
• Molecular Weight: 415.56 g/mol
• Exact Mass: 415.20
• IUPAC Name: N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
• SMILES: C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(N4CCOCC4)nc3)n2)C1
• InChI: InChI=1S/C21H29N5O2S/c1-15-9-16(2)12-25(11-15)13-18-14-29-21(23-18)24-20(27)17-3-4-19(22-10-17)26-5-7-28-8-6-26/h3-4,10,14-16H,5-9,11-13H2,1-2H3,(H,23,24,27)/t15-,16+
• InChIKey: FBXXHBVNUYDIFB-IYBDPMFKSA-N
• XLogP: 3.10
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.56
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide?

The IUPAC name of N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 30193218) is N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide.

What is the SMILES notation for N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide?

The canonical SMILES for N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide is C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(N4CCOCC4)nc3)n2)C1.

What is the InChIKey of N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide?

The InChIKey is FBXXHBVNUYDIFB-IYBDPMFKSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-15-9-16(2)12-25(11-15)13-18-14-29-21(23-18)24-20(27)17-3-4-19(22-10-17)26-5-7-28-8-6-26/h3-4,10,14-16H,5-9,11-13H2,1-2H3,(H,23,24,27)/t15-,16+.

What are the key properties of N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide?

N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 30193218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).