3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide

C13H16F3N3O3 — CID 138022504

IUPAC3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CC(OC)(C(F)(F)F)C2)ccn1
InChIInChI=1S/C13H16F3N3O3/c1-21-10-5-9(3-4-17-10)6-18-11(20)19-7-12(8-19,22-2)13(14,15)16/h3-5H,6-8H2,1-2H3,(H,18,20)
InChIKeyVRIHBRMPBWLTBH-UHFFFAOYSA-N
MW319.28 g/mol
LogP1.56
Rot. Bonds4

About 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide

3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide (PubChem CID 138022504) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide
PubChem CID138022504
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CC(OC)(C(F)(F)F)C2)ccn1
InChIInChI=1S/C13H16F3N3O3/c1-21-10-5-9(3-4-17-10)6-18-11(20)19-7-12(8-19,22-2)13(14,15)16/h3-5H,6-8H2,1-2H3,(H,18,20)
InChIKeyVRIHBRMPBWLTBH-UHFFFAOYSA-N
XLogP1.56
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 34677256
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydroindole-1-carboxamide
CID 47032081
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47048297
(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide
CID 94052771
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55142287
(2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
CID 95287089
2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 87036072
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170
1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032147
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylmorpholine-4-carboxamide
CID 71940734

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide?
The IUPAC name of 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide (CID 138022504) is 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide is COc1cc(CNC(=O)N2CC(OC)(C(F)(F)F)C2)ccn1.
What is the InChIKey of 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide?
The InChIKey is VRIHBRMPBWLTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-21-10-5-9(3-4-17-10)6-18-11(20)19-7-12(8-19,22-2)13(14,15)16/h3-5H,6-8H2,1-2H3,(H,18,20).
What are the key properties of 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide?
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide has a molecular weight of 319.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide is sourced from PubChem (CID 138022504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).