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

C28H38N4O — CID 154641090

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

N-[(4-aminocyclohexyl)methyl]-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide (PubChem CID 154641090) has the molecular formula C28H38N4O and a molecular weight of 446.64 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[(4-aminocyclohexyl)methyl]-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide
• PubChem CID: 154641090
• Molecular Formula: C28H38N4O
• Molecular Weight: 446.64 g/mol
• Exact Mass: 446.30
• IUPAC Name: N-[(4-aminocyclohexyl)methyl]-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)NCC4CCC(N)CC4)cc3c2C(C)C)ccn1
• InChI: InChI=1S/C28H38N4O/c1-17(2)25-23-15-21(8-11-24(23)32-26(25)20-12-13-30-18(3)14-20)28(4,5)27(33)31-16-19-6-9-22(29)10-7-19/h8,11-15,17,19,22,32H,6-7,9-10,16,29H2,1-5H3,(H,31,33)
• InChIKey: LINLYQDATVBZNX-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 83.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.64
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide (CID 154641090) is N-[(4-aminocyclohexyl)methyl]-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide.

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

The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-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)NCC4CCC(N)CC4)cc3c2C(C)C)ccn1.

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

The InChIKey is LINLYQDATVBZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O/c1-17(2)25-23-15-21(8-11-24(23)32-26(25)20-12-13-30-18(3)14-20)28(4,5)27(33)31-16-19-6-9-22(29)10-7-19/h8,11-15,17,19,22,32H,6-7,9-10,16,29H2,1-5H3,(H,31,33).

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

N-[(4-aminocyclohexyl)methyl]-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide has a molecular weight of 446.64 g/mol, XLogP of 5.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-aminocyclohexyl)methyl]-2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanamide is sourced from PubChem (CID 154641090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).