2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone

C18H22N4O — CID 109185537

IUPAC2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone
SMILESCN(C)CCNc1ccc(C(=O)N2CCc3ccccc32)nc1
InChIInChI=1S/C18H22N4O/c1-21(2)12-10-19-15-7-8-16(20-13-15)18(23)22-11-9-14-5-3-4-6-17(14)22/h3-8,13,19H,9-12H2,1-2H3
InChIKeyIPVFUMGSOGMMIX-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.26
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone

2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone (PubChem CID 109185537) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone
PubChem CID109185537
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone
SMILESCN(C)CCNc1ccc(C(=O)N2CCc3ccccc32)nc1
InChIInChI=1S/C18H22N4O/c1-21(2)12-10-19-15-7-8-16(20-13-15)18(23)22-11-9-14-5-3-4-6-17(14)22/h3-8,13,19H,9-12H2,1-2H3
InChIKeyIPVFUMGSOGMMIX-UHFFFAOYSA-N
XLogP2.26
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]methanone
CID 109186156
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104639992
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109192418
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375
3,4-dihydro-2H-quinolin-1-yl-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]methanone
CID 109115226
(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059
3,4-dihydro-2H-quinolin-1-yl-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109192557
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
3,4-dihydro-2H-quinolin-1-yl-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]methanone
CID 109185837
3,4-dihydro-2H-quinolin-1-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109192809
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone
CID 109197743
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-2-pyridinyl]methanone
CID 109197739

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone (CID 109185537) is 2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone is CN(C)CCNc1ccc(C(=O)N2CCc3ccccc32)nc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone?
The InChIKey is IPVFUMGSOGMMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-21(2)12-10-19-15-7-8-16(20-13-15)18(23)22-11-9-14-5-3-4-6-17(14)22/h3-8,13,19H,9-12H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone has a molecular weight of 310.40 g/mol, XLogP of 2.26, 5 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-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone is sourced from PubChem (CID 109185537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).