N-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide

C20H23N3O3 — CID 10020966

IUPACN-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide
SMILESCCC1(CC)C(=O)N(C(=O)NCc2ccccc2)C1Oc1cccnc1
InChIInChI=1S/C20H23N3O3/c1-3-20(4-2)17(24)23(18(20)26-16-11-8-12-21-14-16)19(25)22-13-15-9-6-5-7-10-15/h5-12,14,18H,3-4,13H2,1-2H3,(H,22,25)
InChIKeyVFDFPKABMJTNBA-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.34
Rot. Bonds6

About N-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide

N-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide (PubChem CID 10020966) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide
PubChem CID10020966
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide
SMILESCCC1(CC)C(=O)N(C(=O)NCc2ccccc2)C1Oc1cccnc1
InChIInChI=1S/C20H23N3O3/c1-3-20(4-2)17(24)23(18(20)26-16-11-8-12-21-14-16)19(25)22-13-15-9-6-5-7-10-15/h5-12,14,18H,3-4,13H2,1-2H3,(H,22,25)
InChIKeyVFDFPKABMJTNBA-UHFFFAOYSA-N
XLogP3.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide?
The IUPAC name of N-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide (CID 10020966) is N-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide?
The canonical SMILES for N-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide is CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)C1Oc1cccnc1.
What is the InChIKey of N-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide?
The InChIKey is VFDFPKABMJTNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-20(4-2)17(24)23(18(20)26-16-11-8-12-21-14-16)19(25)22-13-15-9-6-5-7-10-15/h5-12,14,18H,3-4,13H2,1-2H3,(H,22,25).
What are the key properties of N-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide?
N-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,3-diethyl-2-oxo-4-pyridin-3-yloxyazetidine-1-carboxamide is sourced from PubChem (CID 10020966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).