5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one

C15H18F3N3O3 — CID 155956436

IUPAC5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(C(F)(F)F)c1)N1CC(NC2CCOCC2)C1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)12-5-9(6-19-13(12)22)14(23)21-7-11(8-21)20-10-1-3-24-4-2-10/h5-6,10-11,20H,1-4,7-8H2,(H,19,22)
InChIKeyAPNLHFLSSZLARH-UHFFFAOYSA-N
MW345.32 g/mol
LogP0.99
Rot. Bonds3

About 5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one

5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 155956436) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID155956436
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(C(F)(F)F)c1)N1CC(NC2CCOCC2)C1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)12-5-9(6-19-13(12)22)14(23)21-7-11(8-21)20-10-1-3-24-4-2-10/h5-6,10-11,20H,1-4,7-8H2,(H,19,22)
InChIKeyAPNLHFLSSZLARH-UHFFFAOYSA-N
XLogP0.99
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one (CID 155956436) is 5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one is O=C(c1c[nH]c(=O)c(C(F)(F)F)c1)N1CC(NC2CCOCC2)C1.
What is the InChIKey of 5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is APNLHFLSSZLARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c16-15(17,18)12-5-9(6-19-13(12)22)14(23)21-7-11(8-21)20-10-1-3-24-4-2-10/h5-6,10-11,20H,1-4,7-8H2,(H,19,22).
What are the key properties of 5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 345.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxan-4-ylamino)azetidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 155956436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).