5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide

C25H24N4O2 — CID 155533915

IUPAC5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2ccc(C(=O)NCCc3c(C)[nH]c4ccccc34)nc2)cc1
InChIInChI=1S/C25H24N4O2/c1-16-21(22-5-3-4-6-23(22)28-16)13-14-26-25(31)24-12-9-19(15-27-24)18-7-10-20(11-8-18)29-17(2)30/h3-12,15,28H,13-14H2,1-2H3,(H,26,31)(H,29,30)
InChIKeyUUVGYSPMBCTSDC-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.47
Rot. Bonds6

About 5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide

5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 155533915) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID155533915
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2ccc(C(=O)NCCc3c(C)[nH]c4ccccc34)nc2)cc1
InChIInChI=1S/C25H24N4O2/c1-16-21(22-5-3-4-6-23(22)28-16)13-14-26-25(31)24-12-9-19(15-27-24)18-7-10-20(11-8-18)29-17(2)30/h3-12,15,28H,13-14H2,1-2H3,(H,26,31)(H,29,30)
InChIKeyUUVGYSPMBCTSDC-UHFFFAOYSA-N
XLogP4.47
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide (CID 155533915) is 5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide is CC(=O)Nc1ccc(-c2ccc(C(=O)NCCc3c(C)[nH]c4ccccc34)nc2)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is UUVGYSPMBCTSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16-21(22-5-3-4-6-23(22)28-16)13-14-26-25(31)24-12-9-19(15-27-24)18-7-10-20(11-8-18)29-17(2)30/h3-12,15,28H,13-14H2,1-2H3,(H,26,31)(H,29,30).
What are the key properties of 5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 155533915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).