6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C21H24N6O2S — CID 133339514

About 6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133339514) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is 6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 133339514
• Molecular Formula: C21H24N6O2S
• Molecular Weight: 424.53 g/mol
• Exact Mass: 424.17
• IUPAC Name: 6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
• SMILES: CC1CCC(Oc2cc(CNc3ccc(C(=O)Nc4nncs4)cn3)ccn2)CC1
• InChI: InChI=1S/C21H24N6O2S/c1-14-2-5-17(6-3-14)29-19-10-15(8-9-22-19)11-23-18-7-4-16(12-24-18)20(28)26-21-27-25-13-30-21/h4,7-10,12-14,17H,2-3,5-6,11H2,1H3,(H,23,24)(H,26,27,28)
• InChIKey: GMYYTFFCCIWCAF-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 101.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.53
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of 6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133339514) is 6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CC1CCC(Oc2cc(CNc3ccc(C(=O)Nc4nncs4)cn3)ccn2)CC1.

What is the InChIKey of 6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

The InChIKey is GMYYTFFCCIWCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c1-14-2-5-17(6-3-14)29-19-10-15(8-9-22-19)11-23-18-7-4-16(12-24-18)20(28)26-21-27-25-13-30-21/h4,7-10,12-14,17H,2-3,5-6,11H2,1H3,(H,23,24)(H,26,27,28).

What are the key properties of 6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?

6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133339514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).