[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

C21H26N4O — CID 109333851

IUPAC[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C21H26N4O/c1-3-17-9-6-7-12-24(17)20(26)18-14-15(2)22-21(23-18)25-13-11-16-8-4-5-10-19(16)25/h4-5,8,10,14,17H,3,6-7,9,11-13H2,1-2H3
InChIKeyFBQXXWNEGZJNGR-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.88
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 109333851) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID109333851
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)nc(N2CCc3ccccc32)n1
InChIInChI=1S/C21H26N4O/c1-3-17-9-6-7-12-24(17)20(26)18-14-15(2)22-21(23-18)25-13-11-16-8-4-5-10-19(16)25/h4-5,8,10,14,17H,3,6-7,9,11-13H2,1-2H3
InChIKeyFBQXXWNEGZJNGR-UHFFFAOYSA-N
XLogP3.88
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109335434
[2-[benzyl(ethyl)amino]-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109329487
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331562
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109319725
(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 112847218
[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109322683
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109328917
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335380
2-(2,3-dihydroindol-1-yl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109335444
3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone
CID 109056455

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (CID 109333851) is [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(C)nc(N2CCc3ccccc32)n1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is FBQXXWNEGZJNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-17-9-6-7-12-24(17)20(26)18-14-15(2)22-21(23-18)25-13-11-16-8-4-5-10-19(16)25/h4-5,8,10,14,17H,3,6-7,9,11-13H2,1-2H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
[2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 350.47 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 109333851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).