[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

C22H20ClN3O2 — CID 133445171

IUPAC[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(NC(CO)c2ccc(Cl)cc2)nc1)N1CCc2ccccc21
InChIInChI=1S/C22H20ClN3O2/c23-18-8-5-15(6-9-18)19(14-27)25-21-10-7-17(13-24-21)22(28)26-12-11-16-3-1-2-4-20(16)26/h1-10,13,19,27H,11-12,14H2,(H,24,25)
InChIKeyKNRFFYYCJDAATB-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.08
Rot. Bonds5

About [6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 133445171) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is [6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID133445171
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(NC(CO)c2ccc(Cl)cc2)nc1)N1CCc2ccccc21
InChIInChI=1S/C22H20ClN3O2/c23-18-8-5-15(6-9-18)19(14-27)25-21-10-7-17(13-24-21)22(28)26-12-11-16-3-1-2-4-20(16)26/h1-10,13,19,27H,11-12,14H2,(H,24,25)
InChIKeyKNRFFYYCJDAATB-UHFFFAOYSA-N
XLogP4.08
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone with MolForge

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Related Compounds

[6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133331613
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-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone
CID 133376182
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
2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone
CID 71876414
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
2,3-dihydroindol-1-yl-[6-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]methanone
CID 133302732
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
CID 55159998
N-(4-chlorophenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108143
[6-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109162542

Frequently Asked Questions

What is the IUPAC name of [6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 133445171) is [6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(NC(CO)c2ccc(Cl)cc2)nc1)N1CCc2ccccc21.
What is the InChIKey of [6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is KNRFFYYCJDAATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-18-8-5-15(6-9-18)19(14-27)25-21-10-7-17(13-24-21)22(28)26-12-11-16-3-1-2-4-20(16)26/h1-10,13,19,27H,11-12,14H2,(H,24,25).
What are the key properties of [6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 393.87 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 133445171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).