2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone

C24H22N4O — CID 109159706

IUPAC2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(NCCc2c[nH]c3ccccc23)nc1)N1CCc2ccccc21
InChIInChI=1S/C24H22N4O/c29-24(28-14-12-17-5-1-4-8-22(17)28)19-9-10-23(27-16-19)25-13-11-18-15-26-21-7-3-2-6-20(18)21/h1-10,15-16,26H,11-14H2,(H,25,27)
InChIKeyNBZZTSJQDBWTRJ-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.42
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone (PubChem CID 109159706) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone
PubChem CID109159706
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(NCCc2c[nH]c3ccccc23)nc1)N1CCc2ccccc21
InChIInChI=1S/C24H22N4O/c29-24(28-14-12-17-5-1-4-8-22(17)28)19-9-10-23(27-16-19)25-13-11-18-15-26-21-7-3-2-6-20(18)21/h1-10,15-16,26H,11-14H2,(H,25,27)
InChIKeyNBZZTSJQDBWTRJ-UHFFFAOYSA-N
XLogP4.42
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone
CID 109284033
N,N-diethyl-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159691
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
6-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyridine-3-carboxamide
CID 109159705
3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]methanone
CID 109191971
6-[2-(1H-indol-3-yl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151886
2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone
CID 71876414
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108505742
2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone
CID 133376182
N-(furan-2-ylmethyl)-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109155396
N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159728

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone (CID 109159706) is 2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone is O=C(c1ccc(NCCc2c[nH]c3ccccc23)nc1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone?
The InChIKey is NBZZTSJQDBWTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(28-14-12-17-5-1-4-8-22(17)28)19-9-10-23(27-16-19)25-13-11-18-15-26-21-7-3-2-6-20(18)21/h1-10,15-16,26H,11-14H2,(H,25,27).
What are the key properties of 2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone has a molecular weight of 382.47 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 109159706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).