3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide

C20H20F3N3O3 — CID 121156068

IUPAC3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESCc1cc(OC2CN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C20H20F3N3O3/c1-12-8-16(9-18(27)26(12)15-6-7-15)29-17-10-25(11-17)19(28)24-14-4-2-13(3-5-14)20(21,22)23/h2-5,8-9,15,17H,6-7,10-11H2,1H3,(H,24,28)
InChIKeyIEZYUQZWRLQWMZ-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.81
Rot. Bonds4

About 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide

3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide (PubChem CID 121156068) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
PubChem CID121156068
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESCc1cc(OC2CN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C20H20F3N3O3/c1-12-8-16(9-18(27)26(12)15-6-7-15)29-17-10-25(11-17)19(28)24-14-4-2-13(3-5-14)20(21,22)23/h2-5,8-9,15,17H,6-7,10-11H2,1H3,(H,24,28)
InChIKeyIEZYUQZWRLQWMZ-UHFFFAOYSA-N
XLogP3.81
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 121156070
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 121156099
1-cyclopropyl-6-methyl-4-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridin-2-one
CID 91814866
3-pyridin-4-yloxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122255985
4-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155868
4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155818
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122258090
4-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155867
1-cyclopropyl-6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylazetidin-3-yl]oxypyridin-2-one
CID 121156181
1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155971
1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121156027
4-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257031

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The IUPAC name of 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide (CID 121156068) is 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide is Cc1cc(OC2CN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)cc(=O)n1C1CC1.
What is the InChIKey of 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The InChIKey is IEZYUQZWRLQWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-12-8-16(9-18(27)26(12)15-6-7-15)29-17-10-25(11-17)19(28)24-14-4-2-13(3-5-14)20(21,22)23/h2-5,8-9,15,17H,6-7,10-11H2,1H3,(H,24,28).
What are the key properties of 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide has a molecular weight of 407.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 121156068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).