N-[2-(3,4-dichlorophenyl)ethyl]-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide

C26H24Cl2N4O2 — CID 175123394

About N-[2-(3,4-dichlorophenyl)ethyl]-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide

N-[2-(3,4-dichlorophenyl)ethyl]-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide (PubChem CID 175123394) has the molecular formula C26H24Cl2N4O2 and a molecular weight of 495.41 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)ethyl]-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dichlorophenyl)ethyl]-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide
• PubChem CID: 175123394
• Molecular Formula: C26H24Cl2N4O2
• Molecular Weight: 495.41 g/mol
• Exact Mass: 494.13
• IUPAC Name: N-[2-(3,4-dichlorophenyl)ethyl]-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide
• SMILES: O=C(NCCc1ccc(Cl)c(Cl)c1)c1ccc2c(-c3ccc(C4CNCCO4)nc3)c[nH]c2c1
• InChI: InChI=1S/C26H24Cl2N4O2/c27-21-5-1-16(11-22(21)28)7-8-30-26(33)17-2-4-19-20(14-32-24(19)12-17)18-3-6-23(31-13-18)25-15-29-9-10-34-25/h1-6,11-14,25,29,32H,7-10,15H2,(H,30,33)
• InChIKey: CLWMLYQJZZMAOV-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 79.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.41
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide?

The IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide (CID 175123394) is N-[2-(3,4-dichlorophenyl)ethyl]-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide.

What is the SMILES notation for N-[2-(3,4-dichlorophenyl)ethyl]-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide?

The canonical SMILES for N-[2-(3,4-dichlorophenyl)ethyl]-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide is O=C(NCCc1ccc(Cl)c(Cl)c1)c1ccc2c(-c3ccc(C4CNCCO4)nc3)c[nH]c2c1.

What is the InChIKey of N-[2-(3,4-dichlorophenyl)ethyl]-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide?

The InChIKey is CLWMLYQJZZMAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4O2/c27-21-5-1-16(11-22(21)28)7-8-30-26(33)17-2-4-19-20(14-32-24(19)12-17)18-3-6-23(31-13-18)25-15-29-9-10-34-25/h1-6,11-14,25,29,32H,7-10,15H2,(H,30,33).

What are the key properties of N-[2-(3,4-dichlorophenyl)ethyl]-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide?

N-[2-(3,4-dichlorophenyl)ethyl]-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide has a molecular weight of 495.41 g/mol, XLogP of 5.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dichlorophenyl)ethyl]-3-(6-morpholin-2-yl-3-pyridinyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 175123394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).