2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone

C21H23N3O2 — CID 3795245

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone
SMILESCc1ccncc1C(=O)N1CCCN1C(=O)CC1Cc2ccccc2C1
InChIInChI=1S/C21H23N3O2/c1-15-7-8-22-14-19(15)21(26)24-10-4-9-23(24)20(25)13-16-11-17-5-2-3-6-18(17)12-16/h2-3,5-8,14,16H,4,9-13H2,1H3
InChIKeyLUWHXWFZLPSBJV-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.78
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone

2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone (PubChem CID 3795245) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone
PubChem CID3795245
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone
SMILESCc1ccncc1C(=O)N1CCCN1C(=O)CC1Cc2ccccc2C1
InChIInChI=1S/C21H23N3O2/c1-15-7-8-22-14-19(15)21(26)24-10-4-9-23(24)20(25)13-16-11-17-5-2-3-6-18(17)12-16/h2-3,5-8,14,16H,4,9-13H2,1H3
InChIKeyLUWHXWFZLPSBJV-UHFFFAOYSA-N
XLogP2.78
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone (CID 3795245) is 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone is Cc1ccncc1C(=O)N1CCCN1C(=O)CC1Cc2ccccc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone?
The InChIKey is LUWHXWFZLPSBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-7-8-22-14-19(15)21(26)24-10-4-9-23(24)20(25)13-16-11-17-5-2-3-6-18(17)12-16/h2-3,5-8,14,16H,4,9-13H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone?
2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone has a molecular weight of 349.43 g/mol, XLogP of 2.78, 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-(4-methylpyridine-3-carbonyl)pyrazolidin-1-yl]ethanone is sourced from PubChem (CID 3795245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).