2-hydroxy-3-[N-[4-(morpholin-4-ylmethyl)phenyl]-C-pyridin-4-ylcarbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide

C35H35N5O3 — CID 137046412

About 2-hydroxy-3-[N-[4-(morpholin-4-ylmethyl)phenyl]-C-pyridin-4-ylcarbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide

2-hydroxy-3-[N-[4-(morpholin-4-ylmethyl)phenyl]-C-pyridin-4-ylcarbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide (PubChem CID 137046412) has the molecular formula C35H35N5O3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 2-hydroxy-3-[N-[4-(morpholin-4-ylmethyl)phenyl]-C-pyridin-4-ylcarbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide.

Molecular Properties

• Compound Name: 2-hydroxy-3-[N-[4-(morpholin-4-ylmethyl)phenyl]-C-pyridin-4-ylcarbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide
• PubChem CID: 137046412
• Molecular Formula: C35H35N5O3
• Molecular Weight: 573.70 g/mol
• Exact Mass: 573.27
• IUPAC Name: 2-hydroxy-3-[N-[4-(morpholin-4-ylmethyl)phenyl]-C-pyridin-4-ylcarbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide
• SMILES: CC[C@@H](NC(=O)c1ccc2[nH]c(O)c(/C(=N/c3ccc(CN4CCOCC4)cc3)c3ccncc3)c2c1)c1ccccc1
• InChI: InChI=1S/C35H35N5O3/c1-2-30(25-6-4-3-5-7-25)38-34(41)27-10-13-31-29(22-27)32(35(42)39-31)33(26-14-16-36-17-15-26)37-28-11-8-24(9-12-28)23-40-18-20-43-21-19-40/h3-17,22,30,39,42H,2,18-21,23H2,1H3,(H,38,41)/b37-33+/t30-/m1/s1
• InChIKey: PLNDXJZUSGPBAU-ZELWNRAXSA-N
• XLogP: 6.15
• TPSA: 102.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.70
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[N-[4-(morpholin-4-ylmethyl)phenyl]-C-pyridin-4-ylcarbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide?

The IUPAC name of 2-hydroxy-3-[N-[4-(morpholin-4-ylmethyl)phenyl]-C-pyridin-4-ylcarbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide (CID 137046412) is 2-hydroxy-3-[N-[4-(morpholin-4-ylmethyl)phenyl]-C-pyridin-4-ylcarbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide.

What is the SMILES notation for 2-hydroxy-3-[N-[4-(morpholin-4-ylmethyl)phenyl]-C-pyridin-4-ylcarbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide?

The canonical SMILES for 2-hydroxy-3-[N-[4-(morpholin-4-ylmethyl)phenyl]-C-pyridin-4-ylcarbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide is CC[C@@H](NC(=O)c1ccc2[nH]c(O)c(/C(=N/c3ccc(CN4CCOCC4)cc3)c3ccncc3)c2c1)c1ccccc1.

What is the InChIKey of 2-hydroxy-3-[N-[4-(morpholin-4-ylmethyl)phenyl]-C-pyridin-4-ylcarbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide?

The InChIKey is PLNDXJZUSGPBAU-ZELWNRAXSA-N. The full InChI is InChI=1S/C35H35N5O3/c1-2-30(25-6-4-3-5-7-25)38-34(41)27-10-13-31-29(22-27)32(35(42)39-31)33(26-14-16-36-17-15-26)37-28-11-8-24(9-12-28)23-40-18-20-43-21-19-40/h3-17,22,30,39,42H,2,18-21,23H2,1H3,(H,38,41)/b37-33+/t30-/m1/s1.

What are the key properties of 2-hydroxy-3-[N-[4-(morpholin-4-ylmethyl)phenyl]-C-pyridin-4-ylcarbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide?

2-hydroxy-3-[N-[4-(morpholin-4-ylmethyl)phenyl]-C-pyridin-4-ylcarbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide has a molecular weight of 573.70 g/mol, XLogP of 6.15, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-3-[N-[4-(morpholin-4-ylmethyl)phenyl]-C-pyridin-4-ylcarbonimidoyl]-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 137046412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).