(2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone

C21H23N3O2 — CID 109081337

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C21H23N3O2/c1-15-13-16-7-3-4-8-19(16)24(15)20(25)17-9-10-22-18(14-17)21(26)23-11-5-2-6-12-23/h3-4,7-10,14-15H,2,5-6,11-13H2,1H3
InChIKeyOAIHZFUTPVRFTM-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.30
Rot. Bonds2

About (2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone

(2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone (PubChem CID 109081337) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone
PubChem CID109081337
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccnc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C21H23N3O2/c1-15-13-16-7-3-4-8-19(16)24(15)20(25)17-9-10-22-18(14-17)21(26)23-11-5-2-6-12-23/h3-4,7-10,14-15H,2,5-6,11-13H2,1H3
InChIKeyOAIHZFUTPVRFTM-UHFFFAOYSA-N
XLogP3.30
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109090729
N-ethyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109092353
[4-(cycloheptylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217194
(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173637
N-(2,3-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109092172
[6-(azepan-1-yl)pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109355575
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109086077
N-(2,4-difluorophenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109093329
azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone
CID 109264936
N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109088377
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085832

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone (CID 109081337) is (2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone is CC1Cc2ccccc2N1C(=O)c1ccnc(C(=O)N2CCCCC2)c1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone?
The InChIKey is OAIHZFUTPVRFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-13-16-7-3-4-8-19(16)24(15)20(25)17-9-10-22-18(14-17)21(26)23-11-5-2-6-12-23/h3-4,7-10,14-15H,2,5-6,11-13H2,1H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone?
(2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone has a molecular weight of 349.43 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-[2-(piperidine-1-carbonyl)-4-pyridinyl]methanone is sourced from PubChem (CID 109081337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).