(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone

C16H16N2O — CID 110863904

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
SMILESCc1cnccc1C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C16H16N2O/c1-11-10-17-8-7-14(11)16(19)18-12(2)9-13-5-3-4-6-15(13)18/h3-8,10,12H,9H2,1-2H3
InChIKeyLIBRYHUTCVPRNL-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.98
Rot. Bonds1

About (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone

(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone (PubChem CID 110863904) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
PubChem CID110863904
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
SMILESCc1cnccc1C(=O)N1c2ccccc2CC1C
InChIInChI=1S/C16H16N2O/c1-11-10-17-8-7-14(11)16(19)18-12(2)9-13-5-3-4-6-15(13)18/h3-8,10,12H,9H2,1-2H3
InChIKeyLIBRYHUTCVPRNL-UHFFFAOYSA-N
XLogP2.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115645498
(2-amino-3-fluoro-4-pyridinyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 105384137
(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46538773
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 39080777
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850
(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone
CID 110863849
(2,5-dimethylfuran-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 24655561
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone (CID 110863904) is (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone is Cc1cnccc1C(=O)N1c2ccccc2CC1C.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone?
The InChIKey is LIBRYHUTCVPRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-10-17-8-7-14(11)16(19)18-12(2)9-13-5-3-4-6-15(13)18/h3-8,10,12H,9H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone?
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone has a molecular weight of 252.32 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 110863904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).