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

C17H19N3O2 — CID 109227903

IUPAC2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
SMILESCOCCNc1cncc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C17H19N3O2/c1-22-9-7-19-15-10-14(11-18-12-15)17(21)20-8-6-13-4-2-3-5-16(13)20/h2-5,10-12,19H,6-9H2,1H3
InChIKeySUUYGFMKMJWHAU-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.34
Rot. Bonds5

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

2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone (PubChem CID 109227903) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
PubChem CID109227903
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
SMILESCOCCNc1cncc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C17H19N3O2/c1-22-9-7-19-15-10-14(11-18-12-15)17(21)20-8-6-13-4-2-3-5-16(13)20/h2-5,10-12,19H,6-9H2,1H3
InChIKeySUUYGFMKMJWHAU-UHFFFAOYSA-N
XLogP2.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone
CID 109240141
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236521
2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
CID 109235678
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-3-pyridinyl]methanone
CID 109229964
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109103635
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
3,4-dihydro-2H-quinolin-1-yl-[5-(3-phenylpropylamino)-3-pyridinyl]methanone
CID 109239100
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381
3,4-dihydro-2H-quinolin-1-yl-[5-[(2-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109232136
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242383
(4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227858

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone (CID 109227903) is 2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone is COCCNc1cncc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
The InChIKey is SUUYGFMKMJWHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-9-7-19-15-10-14(11-18-12-15)17(21)20-8-6-13-4-2-3-5-16(13)20/h2-5,10-12,19H,6-9H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone has a molecular weight of 297.36 g/mol, XLogP of 2.34, 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-methoxyethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109227903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).