propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate

C15H21N3O5 — CID 3845774

IUPACpropyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate
SMILESCCCOC(=O)N1CCCN1C(=O)c1ccc(OC)nc1OC
InChIInChI=1S/C15H21N3O5/c1-4-10-23-15(20)18-9-5-8-17(18)14(19)11-6-7-12(21-2)16-13(11)22-3/h6-7H,4-5,8-10H2,1-3H3
InChIKeyPZTRSQVUYPHVQI-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.71
Rot. Bonds5

About propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate

propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate (PubChem CID 3845774) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate
PubChem CID3845774
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Namepropyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate
SMILESCCCOC(=O)N1CCCN1C(=O)c1ccc(OC)nc1OC
InChIInChI=1S/C15H21N3O5/c1-4-10-23-15(20)18-9-5-8-17(18)14(19)11-6-7-12(21-2)16-13(11)22-3/h6-7H,4-5,8-10H2,1-3H3
InChIKeyPZTRSQVUYPHVQI-UHFFFAOYSA-N
XLogP1.71
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-3-oxopropanoate
CID 3867735
2-(2,6-dimethoxypyridine-3-carbonyl)-N-ethylpyrazolidine-1-carbothioamide
CID 3850000
(2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone
CID 3727600
(2,6-dimethoxy-3-pyridinyl)-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]methanone
CID 4670046
1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 5015263
1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 3755477
2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3864511
propyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate
CID 3570099
(2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192131
propyl 2-methoxy-6-(methylamino)pyridine-3-carboxylate
CID 139807107
ethyl 3-(2,6-dimethoxy-3-pyridinyl)-3-ethoxyprop-2-enoate
CID 86684677
(2,6-dimethoxy-3-pyridinyl)-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 99991440

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate?
The IUPAC name of propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate (CID 3845774) is propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate.
What is the SMILES notation for propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate?
The canonical SMILES for propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate is CCCOC(=O)N1CCCN1C(=O)c1ccc(OC)nc1OC.
What is the InChIKey of propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate?
The InChIKey is PZTRSQVUYPHVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-4-10-23-15(20)18-9-5-8-17(18)14(19)11-6-7-12(21-2)16-13(11)22-3/h6-7H,4-5,8-10H2,1-3H3.
What are the key properties of propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate?
propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate is sourced from PubChem (CID 3845774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).