[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone

C21H25N3O — CID 84574657

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cccnc1N1c2ccccc2CC1C
InChIInChI=1S/C21H25N3O/c1-15-8-5-6-13-23(15)21(25)18-10-7-12-22-20(18)24-16(2)14-17-9-3-4-11-19(17)24/h3-4,7,9-12,15-16H,5-6,8,13-14H2,1-2H3
InChIKeyYYTLHITUEVOXMD-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.18
Rot. Bonds2

About [2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone

[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 84574657) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone
PubChem CID84574657
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cccnc1N1c2ccccc2CC1C
InChIInChI=1S/C21H25N3O/c1-15-8-5-6-13-23(15)21(25)18-10-7-12-22-20(18)24-16(2)14-17-9-3-4-11-19(17)24/h3-4,7,9-12,15-16H,5-6,8,13-14H2,1-2H3
InChIKeyYYTLHITUEVOXMD-UHFFFAOYSA-N
XLogP4.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574692
(4-ethylpiperazin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methanone
CID 84574669
(2-methylpiperidin-1-yl)-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 84577108
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574636
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574698
(2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone
CID 109264203
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
N-[3-(dimethylamino)propyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574658
N-(3-formamidopropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574667
[2-(2-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 3192324

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone (CID 84574657) is [2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cccnc1N1c2ccccc2CC1C.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is YYTLHITUEVOXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15-8-5-6-13-23(15)21(25)18-10-7-12-22-20(18)24-16(2)14-17-9-3-4-11-19(17)24/h3-4,7,9-12,15-16H,5-6,8,13-14H2,1-2H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 84574657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).