2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide

C23H22N4O2 — CID 155518434

IUPAC2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1-c1ncc(C(=O)NCCc2c(C)[nH]c3ccccc23)cn1
InChIInChI=1S/C23H22N4O2/c1-15-17(18-7-3-5-9-20(18)27-15)11-12-24-23(28)16-13-25-22(26-14-16)19-8-4-6-10-21(19)29-2/h3-10,13-14,27H,11-12H2,1-2H3,(H,24,28)
InChIKeyWTMYKLQTAKORKV-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.91
Rot. Bonds6

About 2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide

2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 155518434) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID155518434
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1-c1ncc(C(=O)NCCc2c(C)[nH]c3ccccc23)cn1
InChIInChI=1S/C23H22N4O2/c1-15-17(18-7-3-5-9-20(18)27-15)11-12-24-23(28)16-13-25-22(26-14-16)19-8-4-6-10-21(19)29-2/h3-10,13-14,27H,11-12H2,1-2H3,(H,24,28)
InChIKeyWTMYKLQTAKORKV-UHFFFAOYSA-N
XLogP3.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (CID 155518434) is 2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is COc1ccccc1-c1ncc(C(=O)NCCc2c(C)[nH]c3ccccc23)cn1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is WTMYKLQTAKORKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-17(18-7-3-5-9-20(18)27-15)11-12-24-23(28)16-13-25-22(26-14-16)19-8-4-6-10-21(19)29-2/h3-10,13-14,27H,11-12H2,1-2H3,(H,24,28).
What are the key properties of 2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 155518434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).