3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide

C22H19N3O2 — CID 109055189

IUPAC3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C22H19N3O2/c26-21(24-15-16-8-11-23-12-9-16)18-5-3-6-19(14-18)22(27)25-13-10-17-4-1-2-7-20(17)25/h1-9,11-12,14H,10,13,15H2,(H,24,26)
InChIKeyZVPVZLGZEFOJDU-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.21
Rot. Bonds4

About 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide

3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 109055189) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID109055189
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C22H19N3O2/c26-21(24-15-16-8-11-23-12-9-16)18-5-3-6-19(14-18)22(27)25-13-10-17-4-1-2-7-20(17)25/h1-9,11-12,14H,10,13,15H2,(H,24,26)
InChIKeyZVPVZLGZEFOJDU-UHFFFAOYSA-N
XLogP3.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide (CID 109055189) is 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1cccc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is ZVPVZLGZEFOJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-21(24-15-16-8-11-23-12-9-16)18-5-3-6-19(14-18)22(27)25-13-10-17-4-1-2-7-20(17)25/h1-9,11-12,14H,10,13,15H2,(H,24,26).
What are the key properties of 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide?
3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 357.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 109055189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).