2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone

C21H25N3O2 — CID 133376182

IUPAC2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(NCC2(CCO)CCC2)nc1)N1CCc2ccccc21
InChIInChI=1S/C21H25N3O2/c25-13-11-21(9-3-10-21)15-23-19-7-6-17(14-22-19)20(26)24-12-8-16-4-1-2-5-18(16)24/h1-2,4-7,14,25H,3,8-13,15H2,(H,22,23)
InChIKeyGUPUULNFARNSLI-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.25
Rot. Bonds6

About 2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone (PubChem CID 133376182) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone
PubChem CID133376182
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(NCC2(CCO)CCC2)nc1)N1CCc2ccccc21
InChIInChI=1S/C21H25N3O2/c25-13-11-21(9-3-10-21)15-23-19-7-6-17(14-22-19)20(26)24-12-8-16-4-1-2-5-18(16)24/h1-2,4-7,14,25H,3,8-13,15H2,(H,22,23)
InChIKeyGUPUULNFARNSLI-UHFFFAOYSA-N
XLogP3.25
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone
CID 133357945
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone
CID 71876414
2,3-dihydroindol-1-yl-[6-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]methanone
CID 133302732
2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
CID 97017175
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133445171
2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone
CID 109159706
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanone
CID 109157070
2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone
CID 97316548
2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone
CID 127597666

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone (CID 133376182) is 2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone is O=C(c1ccc(NCC2(CCO)CCC2)nc1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone?
The InChIKey is GUPUULNFARNSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-13-11-21(9-3-10-21)15-23-19-7-6-17(14-22-19)20(26)24-12-8-16-4-1-2-5-18(16)24/h1-2,4-7,14,25H,3,8-13,15H2,(H,22,23).
What are the key properties of 2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone has a molecular weight of 351.45 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 133376182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).