[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C23H22ClN3O — CID 109193714

IUPAC[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C23H22ClN3O/c1-16-14-18-4-2-3-5-22(18)27(16)23(28)21-11-10-20(15-26-21)25-13-12-17-6-8-19(24)9-7-17/h2-11,15-16,25H,12-14H2,1H3
InChIKeyCDTUOVMFBNJJGN-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.98
Rot. Bonds5

About [5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109193714) has the molecular formula C23H22ClN3O and a molecular weight of 391.90 g/mol. Its IUPAC name is [5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109193714
Molecular FormulaC23H22ClN3O
Molecular Weight391.90 g/mol
Exact Mass391.15
IUPAC Name[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C23H22ClN3O/c1-16-14-18-4-2-3-5-22(18)27(16)23(28)21-11-10-20(15-26-21)25-13-12-17-6-8-19(24)9-7-17/h2-11,15-16,25H,12-14H2,1H3
InChIKeyCDTUOVMFBNJJGN-UHFFFAOYSA-N
XLogP4.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-anilino-2-pyridinyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109197131
[5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109200832
[5-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109241198
[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109281775
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109192418
3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109330430
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
CID 43427178
N-(4-chlorophenyl)-2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089852
[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109351469
[5-(4-fluoroanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109292582
3,4-dihydro-2H-quinolin-1-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109192809

Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109193714) is [5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc(NCCc2ccc(Cl)cc2)cn1.
What is the InChIKey of [5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is CDTUOVMFBNJJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O/c1-16-14-18-4-2-3-5-22(18)27(16)23(28)21-11-10-20(15-26-21)25-13-12-17-6-8-19(24)9-7-17/h2-11,15-16,25H,12-14H2,1H3.
What are the key properties of [5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 391.90 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109193714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).