1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide

C24H24N4O3 — CID 53200908

IUPAC1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCc3c(C(=O)NC(C)c4ccccn4)cccc32)cc1
InChIInChI=1S/C24H24N4O3/c1-16(21-7-3-4-14-25-21)26-23(29)20-6-5-8-22-19(20)13-15-28(22)24(30)27-17-9-11-18(31-2)12-10-17/h3-12,14,16H,13,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyFKPJEUVCFLMTOR-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.18
Rot. Bonds5

About 1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide

1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide (PubChem CID 53200908) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
PubChem CID53200908
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCc3c(C(=O)NC(C)c4ccccn4)cccc32)cc1
InChIInChI=1S/C24H24N4O3/c1-16(21-7-3-4-14-25-21)26-23(29)20-6-5-8-22-19(20)13-15-28(22)24(30)27-17-9-11-18(31-2)12-10-17/h3-12,14,16H,13,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyFKPJEUVCFLMTOR-UHFFFAOYSA-N
XLogP4.18
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide with MolForge

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Related Compounds

4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 95100010
4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 95100016
4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 25391222
4-N-tert-butyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160112
1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160081
N-(4-methoxyphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81393069
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
1-(4-methoxyphenyl)sulfonyl-N-propan-2-yl-2,3-dihydroindole-4-carboxamide
CID 53160204
4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071613
4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160167
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide (CID 53200908) is 1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide is COc1ccc(NC(=O)N2CCc3c(C(=O)NC(C)c4ccccn4)cccc32)cc1.
What is the InChIKey of 1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide?
The InChIKey is FKPJEUVCFLMTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16(21-7-3-4-14-25-21)26-23(29)20-6-5-8-22-19(20)13-15-28(22)24(30)27-17-9-11-18(31-2)12-10-17/h3-12,14,16H,13,15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide?
1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide is sourced from PubChem (CID 53200908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).