4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one

C15H21N3O3 — CID 91792068

IUPAC4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CC(N3CCOCC3)C2)c(=O)[nH]1
InChIInChI=1S/C15H21N3O3/c1-10-7-11(2)16-14(19)13(10)15(20)18-8-12(9-18)17-3-5-21-6-4-17/h7,12H,3-6,8-9H2,1-2H3,(H,16,19)
InChIKeyHOFRUVVVKREUAG-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.15
Rot. Bonds2

About 4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one

4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 91792068) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID91792068
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CC(N3CCOCC3)C2)c(=O)[nH]1
InChIInChI=1S/C15H21N3O3/c1-10-7-11(2)16-14(19)13(10)15(20)18-8-12(9-18)17-3-5-21-6-4-17/h7,12H,3-6,8-9H2,1-2H3,(H,16,19)
InChIKeyHOFRUVVVKREUAG-UHFFFAOYSA-N
XLogP0.15
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one (CID 91792068) is 4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CC(N3CCOCC3)C2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is HOFRUVVVKREUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-7-11(2)16-14(19)13(10)15(20)18-8-12(9-18)17-3-5-21-6-4-17/h7,12H,3-6,8-9H2,1-2H3,(H,16,19).
What are the key properties of 4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one?
4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 291.35 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 91792068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).