2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone

C20H21N3O2 — CID 3747779

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone
SMILESO=C(CC1Cc2ccccc2C1)N1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C20H21N3O2/c24-19(13-15-11-16-5-1-2-6-17(16)12-15)22-9-4-10-23(22)20(25)18-7-3-8-21-14-18/h1-3,5-8,14-15H,4,9-13H2
InChIKeyWYZKQLSVMGJMJD-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.48
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone

2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone (PubChem CID 3747779) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone
PubChem CID3747779
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone
SMILESO=C(CC1Cc2ccccc2C1)N1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C20H21N3O2/c24-19(13-15-11-16-5-1-2-6-17(16)12-15)22-9-4-10-23(22)20(25)18-7-3-8-21-14-18/h1-3,5-8,14-15H,4,9-13H2
InChIKeyWYZKQLSVMGJMJD-UHFFFAOYSA-N
XLogP2.48
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone
CID 3795245
1-[2-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrazolidin-1-yl]but-2-en-1-one
CID 3747777
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
[4-(phenylsulfanylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84514656
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 84550235
2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371830
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
2-(2-chlorophenyl)-1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798857
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
1-[2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 3400878
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone (CID 3747779) is 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone is O=C(CC1Cc2ccccc2C1)N1CCCN1C(=O)c1cccnc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone?
The InChIKey is WYZKQLSVMGJMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19(13-15-11-16-5-1-2-6-17(16)12-15)22-9-4-10-23(22)20(25)18-7-3-8-21-14-18/h1-3,5-8,14-15H,4,9-13H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone?
2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone has a molecular weight of 335.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(pyridine-3-carbonyl)pyrazolidin-1-yl]ethanone is sourced from PubChem (CID 3747779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).