(2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone

C21H26N4O — CID 109264203

IUPAC(2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnc(N2c3ccccc3CC2C)nc1
InChIInChI=1S/C21H26N4O/c1-3-18-9-6-7-11-24(18)20(26)17-13-22-21(23-14-17)25-15(2)12-16-8-4-5-10-19(16)25/h4-5,8,10,13-15,18H,3,6-7,9,11-12H2,1-2H3
InChIKeyHGGCOHSYZIFEDX-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.96
Rot. Bonds3

About (2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone

(2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone (PubChem CID 109264203) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone
PubChem CID109264203
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnc(N2c3ccccc3CC2C)nc1
InChIInChI=1S/C21H26N4O/c1-3-18-9-6-7-11-24(18)20(26)17-13-22-21(23-14-17)25-15(2)12-16-8-4-5-10-19(16)25/h4-5,8,10,13-15,18H,3,6-7,9,11-12H2,1-2H3
InChIKeyHGGCOHSYZIFEDX-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone
CID 109264936
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(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109262091
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 84574657
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
[2-(cyclohexylamino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109250530
[2-(2,6-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264208
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone
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Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone (CID 109264203) is (2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone is CCC1CCCCN1C(=O)c1cnc(N2c3ccccc3CC2C)nc1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone?
The InChIKey is HGGCOHSYZIFEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-18-9-6-7-11-24(18)20(26)17-13-22-21(23-14-17)25-15(2)12-16-8-4-5-10-19(16)25/h4-5,8,10,13-15,18H,3,6-7,9,11-12H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone?
(2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone has a molecular weight of 350.47 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109264203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).