6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide

C24H23N3O2 — CID 155549879

IUPAC6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)NCCc2c(C)[nH]c3ccccc23)cn1
InChIInChI=1S/C24H23N3O2/c1-16-18(19-7-3-5-9-22(19)27-16)13-14-25-24(28)17-11-12-21(26-15-17)20-8-4-6-10-23(20)29-2/h3-12,15,27H,13-14H2,1-2H3,(H,25,28)
InChIKeySRNCUSXKASLABX-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.52
Rot. Bonds6

About 6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide

6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 155549879) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID155549879
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)NCCc2c(C)[nH]c3ccccc23)cn1
InChIInChI=1S/C24H23N3O2/c1-16-18(19-7-3-5-9-22(19)27-16)13-14-25-24(28)17-11-12-21(26-15-17)20-8-4-6-10-23(20)29-2/h3-12,15,27H,13-14H2,1-2H3,(H,25,28)
InChIKeySRNCUSXKASLABX-UHFFFAOYSA-N
XLogP4.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
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 6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide (CID 155549879) is 6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide is COc1ccccc1-c1ccc(C(=O)NCCc2c(C)[nH]c3ccccc23)cn1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is SRNCUSXKASLABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16-18(19-7-3-5-9-22(19)27-16)13-14-25-24(28)17-11-12-21(26-15-17)20-8-4-6-10-23(20)29-2/h3-12,15,27H,13-14H2,1-2H3,(H,25,28).
What are the key properties of 6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 155549879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).