N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide

C33H35N5O2 — CID 10230338

About N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide

N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide (PubChem CID 10230338) has the molecular formula C33H35N5O2 and a molecular weight of 533.68 g/mol. Its IUPAC name is N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide
• PubChem CID: 10230338
• Molecular Formula: C33H35N5O2
• Molecular Weight: 533.68 g/mol
• Exact Mass: 533.28
• IUPAC Name: N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide
• SMILES: C[C@@](CNC(=O)c1cc2ccccc2[nH]1)(C(=O)NCC1(c2ccccn2)CCCCC1)c1cc2ccccc2[nH]1
• InChI: InChI=1S/C33H35N5O2/c1-32(29-20-24-12-4-6-14-26(24)38-29,21-35-30(39)27-19-23-11-3-5-13-25(23)37-27)31(40)36-22-33(16-8-2-9-17-33)28-15-7-10-18-34-28/h3-7,10-15,18-20,37-38H,2,8-9,16-17,21-22H2,1H3,(H,35,39)(H,36,40)/t32-/m0/s1
• InChIKey: WUPPGCPQOQZJDW-YTTGMZPUSA-N
• XLogP: 5.75
• TPSA: 102.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.68
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide?

The IUPAC name of N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide (CID 10230338) is N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide?

The canonical SMILES for N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide is C[C@@](CNC(=O)c1cc2ccccc2[nH]1)(C(=O)NCC1(c2ccccn2)CCCCC1)c1cc2ccccc2[nH]1.

What is the InChIKey of N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide?

The InChIKey is WUPPGCPQOQZJDW-YTTGMZPUSA-N. The full InChI is InChI=1S/C33H35N5O2/c1-32(29-20-24-12-4-6-14-26(24)38-29,21-35-30(39)27-19-23-11-3-5-13-25(23)37-27)31(40)36-22-33(16-8-2-9-17-33)28-15-7-10-18-34-28/h3-7,10-15,18-20,37-38H,2,8-9,16-17,21-22H2,1H3,(H,35,39)(H,36,40)/t32-/m0/s1.

What are the key properties of N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide?

N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide has a molecular weight of 533.68 g/mol, XLogP of 5.75, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10230338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).