(2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone

C16H21N3O4 — CID 3727600

IUPAC(2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCN2C(=O)C2(C)CC2)c(OC)n1
InChIInChI=1S/C16H21N3O4/c1-16(7-8-16)15(21)19-10-4-9-18(19)14(20)11-5-6-12(22-2)17-13(11)23-3/h5-6H,4,7-10H2,1-3H3
InChIKeyXJJGGAGFGKRMFA-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.49
Rot. Bonds4

About (2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone

(2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone (PubChem CID 3727600) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone
PubChem CID3727600
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name(2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCN2C(=O)C2(C)CC2)c(OC)n1
InChIInChI=1S/C16H21N3O4/c1-16(7-8-16)15(21)19-10-4-9-18(19)14(20)11-5-6-12(22-2)17-13(11)23-3/h5-6H,4,7-10H2,1-3H3
InChIKeyXJJGGAGFGKRMFA-UHFFFAOYSA-N
XLogP1.49
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone (CID 3727600) is (2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone is COc1ccc(C(=O)N2CCCN2C(=O)C2(C)CC2)c(OC)n1.
What is the InChIKey of (2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone?
The InChIKey is XJJGGAGFGKRMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-16(7-8-16)15(21)19-10-4-9-18(19)14(20)11-5-6-12(22-2)17-13(11)23-3/h5-6H,4,7-10H2,1-3H3.
What are the key properties of (2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone?
(2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone has a molecular weight of 319.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone is sourced from PubChem (CID 3727600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).