N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide

C27H36N4O — CID 154641135

About N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide

N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide (PubChem CID 154641135) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
• PubChem CID: 154641135
• Molecular Formula: C27H36N4O
• Molecular Weight: 432.61 g/mol
• Exact Mass: 432.29
• IUPAC Name: N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
• SMILES: Cc1cc(-c2[nH]c3ccc(C(C)(C)C(=O)NC4CCCC(N)C4)cc3c2C(C)C)ccn1
• InChI: InChI=1S/C27H36N4O/c1-16(2)24-22-14-19(27(4,5)26(32)30-21-8-6-7-20(28)15-21)9-10-23(22)31-25(24)18-11-12-29-17(3)13-18/h9-14,16,20-21,31H,6-8,15,28H2,1-5H3,(H,30,32)
• InChIKey: HLOYXJABLQJTRE-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 83.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.61
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide?

The IUPAC name of N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide (CID 154641135) is N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide.

What is the SMILES notation for N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide?

The canonical SMILES for N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide is Cc1cc(-c2[nH]c3ccc(C(C)(C)C(=O)NC4CCCC(N)C4)cc3c2C(C)C)ccn1.

What is the InChIKey of N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide?

The InChIKey is HLOYXJABLQJTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c1-16(2)24-22-14-19(27(4,5)26(32)30-21-8-6-7-20(28)15-21)9-10-23(22)31-25(24)18-11-12-29-17(3)13-18/h9-14,16,20-21,31H,6-8,15,28H2,1-5H3,(H,30,32).

What are the key properties of N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide?

N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide has a molecular weight of 432.61 g/mol, XLogP of 5.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminocyclohexyl)-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide is sourced from PubChem (CID 154641135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).