2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone

C23H23N3O2 — CID 109214592

IUPAC2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
SMILESCOc1ccc(CCNc2ccnc(C(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C23H23N3O2/c1-28-20-8-6-17(7-9-20)10-13-24-19-11-14-25-21(16-19)23(27)26-15-12-18-4-2-3-5-22(18)26/h2-9,11,14,16H,10,12-13,15H2,1H3,(H,24,25)
InChIKeyIMZUXPAKRNILTE-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.95
Rot. Bonds6

About 2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone

2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone (PubChem CID 109214592) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
PubChem CID109214592
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
SMILESCOc1ccc(CCNc2ccnc(C(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C23H23N3O2/c1-28-20-8-6-17(7-9-20)10-13-24-19-11-14-25-21(16-19)23(27)26-15-12-18-4-2-3-5-22(18)26/h2-9,11,14,16H,10,12-13,15H2,1H3,(H,24,25)
InChIKeyIMZUXPAKRNILTE-UHFFFAOYSA-N
XLogP3.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109213671
2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone
CID 109219537
2,3-dihydroindol-1-yl-[2-[2-(4-methoxyphenyl)ethylamino]-4-pyridinyl]methanone
CID 109173038
3,4-dihydro-2H-quinolin-1-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109192809
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208083
2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203131
4-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109086940
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109192418
2-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109087717
2,3-dihydroindol-1-yl-[2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109307779
2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109214584

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone (CID 109214592) is 2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone is COc1ccc(CCNc2ccnc(C(=O)N3CCc4ccccc43)c2)cc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone?
The InChIKey is IMZUXPAKRNILTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-28-20-8-6-17(7-9-20)10-13-24-19-11-14-25-21(16-19)23(27)26-15-12-18-4-2-3-5-22(18)26/h2-9,11,14,16H,10,12-13,15H2,1H3,(H,24,25).
What are the key properties of 2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone has a molecular weight of 373.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone is sourced from PubChem (CID 109214592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).