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

C23H22N4O3 — CID 53160159

IUPAC1-N-(4-methoxyphenyl)-4-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCc3c(C(=O)NCc4ccncc4)cccc32)cc1
InChIInChI=1S/C23H22N4O3/c1-30-18-7-5-17(6-8-18)26-23(29)27-14-11-19-20(3-2-4-21(19)27)22(28)25-15-16-9-12-24-13-10-16/h2-10,12-13H,11,14-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyOYTKWENZLUPBRS-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.61
Rot. Bonds5

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

1-N-(4-methoxyphenyl)-4-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-1,4-dicarboxamide (PubChem CID 53160159) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-N-(4-methoxyphenyl)-4-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methoxyphenyl)-4-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-1,4-dicarboxamide
PubChem CID53160159
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name1-N-(4-methoxyphenyl)-4-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCc3c(C(=O)NCc4ccncc4)cccc32)cc1
InChIInChI=1S/C23H22N4O3/c1-30-18-7-5-17(6-8-18)26-23(29)27-14-11-19-20(3-2-4-21(19)27)22(28)25-15-16-9-12-24-13-10-16/h2-10,12-13H,11,14-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyOYTKWENZLUPBRS-UHFFFAOYSA-N
XLogP3.61
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxyphenyl)-4-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-methoxyphenyl)-4-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-1,4-dicarboxamide (CID 53160159) is 1-N-(4-methoxyphenyl)-4-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-methoxyphenyl)-4-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-methoxyphenyl)-4-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-1,4-dicarboxamide is COc1ccc(NC(=O)N2CCc3c(C(=O)NCc4ccncc4)cccc32)cc1.
What is the InChIKey of 1-N-(4-methoxyphenyl)-4-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-1,4-dicarboxamide?
The InChIKey is OYTKWENZLUPBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-30-18-7-5-17(6-8-18)26-23(29)27-14-11-19-20(3-2-4-21(19)27)22(28)25-15-16-9-12-24-13-10-16/h2-10,12-13H,11,14-15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-(4-methoxyphenyl)-4-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-1,4-dicarboxamide?
1-N-(4-methoxyphenyl)-4-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-1,4-dicarboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.61, 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-(pyridin-4-ylmethyl)-2,3-dihydroindole-1,4-dicarboxamide is sourced from PubChem (CID 53160159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).