4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one

C20H20N2O2 — CID 166617141

IUPAC4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c1cccc2C(=O)N1CCC(Cc2ccccn2)C1
InChIInChI=1S/C20H20N2O2/c23-19-8-7-16-17(19)5-3-6-18(16)20(24)22-11-9-14(13-22)12-15-4-1-2-10-21-15/h1-6,10,14H,7-9,11-13H2
InChIKeyMDQUMLYTJGIUSH-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.92
Rot. Bonds3

About 4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one

4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one (PubChem CID 166617141) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one
PubChem CID166617141
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c1cccc2C(=O)N1CCC(Cc2ccccn2)C1
InChIInChI=1S/C20H20N2O2/c23-19-8-7-16-17(19)5-3-6-18(16)20(24)22-11-9-14(13-22)12-15-4-1-2-10-21-15/h1-6,10,14H,7-9,11-13H2
InChIKeyMDQUMLYTJGIUSH-UHFFFAOYSA-N
XLogP2.92
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile
CID 166613705
2,3-dihydro-1-benzofuran-5-yl-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618855
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618279
(2-cyclopropylpyrimidin-5-yl)-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 125026604
4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 131941564
[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 175652360
(1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 171325435
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
(4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 121451736
methyl 4-[4-(pyridin-2-ylmethyl)piperidine-1-carbonyl]benzoate
CID 122137060

Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one?
The IUPAC name of 4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one (CID 166617141) is 4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one is O=C1CCc2c1cccc2C(=O)N1CCC(Cc2ccccn2)C1.
What is the InChIKey of 4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one?
The InChIKey is MDQUMLYTJGIUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19-8-7-16-17(19)5-3-6-18(16)20(24)22-11-9-14(13-22)12-15-4-1-2-10-21-15/h1-6,10,14H,7-9,11-13H2.
What are the key properties of 4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one?
4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one has a molecular weight of 320.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 166617141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).