1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide

C34H34N4O2 — CID 83287290

About 1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide

1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide (PubChem CID 83287290) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
• PubChem CID: 83287290
• Molecular Formula: C34H34N4O2
• Molecular Weight: 530.67 g/mol
• Exact Mass: 530.27
• IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
• SMILES: Cc1ccc(C)c(Cn2c(C(=O)NCCc3ccccn3)cc3cc(NC(=O)CCc4ccccc4)ccc32)c1
• InChI: InChI=1S/C34H34N4O2/c1-24-11-12-25(2)28(20-24)23-38-31-15-14-30(37-33(39)16-13-26-8-4-3-5-9-26)21-27(31)22-32(38)34(40)36-19-17-29-10-6-7-18-35-29/h3-12,14-15,18,20-22H,13,16-17,19,23H2,1-2H3,(H,36,40)(H,37,39)
• InChIKey: CZIRSMXISDMLSD-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.67
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?

The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide (CID 83287290) is 1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide.

What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?

The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide is Cc1ccc(C)c(Cn2c(C(=O)NCCc3ccccn3)cc3cc(NC(=O)CCc4ccccc4)ccc32)c1.

What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?

The InChIKey is CZIRSMXISDMLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-24-11-12-25(2)28(20-24)23-38-31-15-14-30(37-33(39)16-13-26-8-4-3-5-9-26)21-27(31)22-32(38)34(40)36-19-17-29-10-6-7-18-35-29/h3-12,14-15,18,20-22H,13,16-17,19,23H2,1-2H3,(H,36,40)(H,37,39).

What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?

1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide has a molecular weight of 530.67 g/mol, XLogP of 6.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,5-dimethylphenyl)methyl]-5-(3-phenylpropanoylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 83287290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).