N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide

C23H27N5O4S — CID 163391306

About N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide

N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide (PubChem CID 163391306) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
• PubChem CID: 163391306
• Molecular Formula: C23H27N5O4S
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.18
• IUPAC Name: N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
• SMILES: COc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCC2CCC(O)CC2)s1
• InChI: InChI=1S/C23H27N5O4S/c1-13-8-17(18-9-14(2)25-11-20(18)31-3)19(10-24-13)21(30)26-22-27-28-23(33-22)32-12-15-4-6-16(29)7-5-15/h8-11,15-16,29H,4-7,12H2,1-3H3,(H,26,27,30)
• InChIKey: CACUFARFDSUCGN-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 119.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?

The IUPAC name of N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide (CID 163391306) is N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?

The canonical SMILES for N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide is COc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCC2CCC(O)CC2)s1.

What is the InChIKey of N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?

The InChIKey is CACUFARFDSUCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-13-8-17(18-9-14(2)25-11-20(18)31-3)19(10-24-13)21(30)26-22-27-28-23(33-22)32-12-15-4-6-16(29)7-5-15/h8-11,15-16,29H,4-7,12H2,1-3H3,(H,26,27,30).

What are the key properties of N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?

N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 163391306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).