2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine

C52H74N14O3 — CID 159987053

About 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine

2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine (PubChem CID 159987053) has the molecular formula C52H74N14O3 and a molecular weight of 943.26 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine.

Molecular Properties

• Compound Name: 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine
• PubChem CID: 159987053
• Molecular Formula: C52H74N14O3
• Molecular Weight: 943.26 g/mol
• Exact Mass: 942.61
• IUPAC Name: 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine
• SMILES: CCC(CC)Nc1cc(-c2nc(C)no2)cnc1NC1CCCCC1.Cc1noc(-c2cnc(CC3CCCCC3)c(N)c2)n1.Cc1noc(-c2cnc(NC3CCCC3)c(NC3CCCC3)c2)n1
• InChI: InChI=1S/C19H29N5O.C18H25N5O.C15H20N4O/c1-4-15(5-2)22-17-11-14(19-21-13(3)24-25-19)12-20-18(17)23-16-9-7-6-8-10-16;1-12-20-18(24-23-12)13-10-16(21-14-6-2-3-7-14)17(19-11-13)22-15-8-4-5-9-15;1-10-18-15(20-19-10)12-8-13(16)14(17-9-12)7-11-5-3-2-4-6-11/h11-12,15-16,22H,4-10H2,1-3H3,(H,20,23);10-11,14-15,21H,2-9H2,1H3,(H,19,22);8-9,11H,2-7,16H2,1H3
• InChIKey: OGLWACSICJQRLM-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 229.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	943.26
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine?

The IUPAC name of 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine (CID 159987053) is 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine.

What is the SMILES notation for 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine?

The canonical SMILES for 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine is CCC(CC)Nc1cc(-c2nc(C)no2)cnc1NC1CCCCC1.Cc1noc(-c2cnc(CC3CCCCC3)c(N)c2)n1.Cc1noc(-c2cnc(NC3CCCC3)c(NC3CCCC3)c2)n1.

What is the InChIKey of 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine?

The InChIKey is OGLWACSICJQRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O.C18H25N5O.C15H20N4O/c1-4-15(5-2)22-17-11-14(19-21-13(3)24-25-19)12-20-18(17)23-16-9-7-6-8-10-16;1-12-20-18(24-23-12)13-10-16(21-14-6-2-3-7-14)17(19-11-13)22-15-8-4-5-9-15;1-10-18-15(20-19-10)12-8-13(16)14(17-9-12)7-11-5-3-2-4-6-11/h11-12,15-16,22H,4-10H2,1-3H3,(H,20,23);10-11,14-15,21H,2-9H2,1H3,(H,19,22);8-9,11H,2-7,16H2,1H3.

What are the key properties of 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine?

2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine has a molecular weight of 943.26 g/mol, XLogP of 12.08, 15 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclohexylmethyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine;2-N-cyclohexyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-N-pentan-3-ylpyridine-2,3-diamine;2-N,3-N-dicyclopentyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine-2,3-diamine is sourced from PubChem (CID 159987053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).