2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

C26H32N6O3 — CID 66966332

About 2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 66966332) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
• PubChem CID: 66966332
• Molecular Formula: C26H32N6O3
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.25
• IUPAC Name: 2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
• SMILES: CC(c1cc2ccccc2[nH]1)N(C)C(=O)C=Cc1cnc(N)c(C(=O)NCCN2CCOCC2)c1
• InChI: InChI=1S/C26H32N6O3/c1-18(23-16-20-5-3-4-6-22(20)30-23)31(2)24(33)8-7-19-15-21(25(27)29-17-19)26(34)28-9-10-32-11-13-35-14-12-32/h3-8,15-18,30H,9-14H2,1-2H3,(H2,27,29)(H,28,34)
• InChIKey: JIVVNKYYKUQSQS-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 116.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?

The IUPAC name of 2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (CID 66966332) is 2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.

What is the SMILES notation for 2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?

The canonical SMILES for 2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is CC(c1cc2ccccc2[nH]1)N(C)C(=O)C=Cc1cnc(N)c(C(=O)NCCN2CCOCC2)c1.

What is the InChIKey of 2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?

The InChIKey is JIVVNKYYKUQSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-18(23-16-20-5-3-4-6-22(20)30-23)31(2)24(33)8-7-19-15-21(25(27)29-17-19)26(34)28-9-10-32-11-13-35-14-12-32/h3-8,15-18,30H,9-14H2,1-2H3,(H2,27,29)(H,28,34).

What are the key properties of 2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?

2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66966332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).