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

C23H22ClN3O — CID 109241198

IUPAC[5-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cncc(NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C23H22ClN3O/c1-16-11-18-6-2-3-8-22(18)27(16)23(28)19-13-21(15-25-14-19)26-10-9-17-5-4-7-20(24)12-17/h2-8,12-16,26H,9-11H2,1H3
InChIKeyPTNZLRSBJYXQHW-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.98
Rot. Bonds5

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

[5-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109241198) has the molecular formula C23H22ClN3O and a molecular weight of 391.90 g/mol. Its IUPAC name is [5-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109241198
Molecular FormulaC23H22ClN3O
Molecular Weight391.90 g/mol
Exact Mass391.15
IUPAC Name[5-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cncc(NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C23H22ClN3O/c1-16-11-18-6-2-3-8-22(18)27(16)23(28)19-13-21(15-25-14-19)26-10-9-17-5-4-7-20(24)12-17/h2-8,12-16,26H,9-11H2,1H3
InChIKeyPTNZLRSBJYXQHW-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-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109236835
[6-(3-chloroanilino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109163427
[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109193714
[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109158916
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108980393
1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113185869
5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109224617
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109055314
[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109270569
5-[2-(3-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109241188
N-(2,5-dimethylphenyl)-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108285

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109241198) is [5-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1cncc(NCCc2cccc(Cl)c2)c1.
What is the InChIKey of [5-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is PTNZLRSBJYXQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O/c1-16-11-18-6-2-3-8-22(18)27(16)23(28)19-13-21(15-25-14-19)26-10-9-17-5-4-7-20(24)12-17/h2-8,12-16,26H,9-11H2,1H3.
What are the key properties of [5-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[5-[2-(3-chlorophenyl)ethylamino]-3-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-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109241198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).