methyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate

C11H12F3N3O4 — CID 144825954

IUPACmethyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate
SMILESCOC(=O)CN(OC)C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H12F3N3O4/c1-20-9(18)6-17(21-2)10(19)16-8-5-7(3-4-15-8)11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16,19)
InChIKeyBRONXJOVPXJNFX-UHFFFAOYSA-N
MW307.23 g/mol
LogP1.67
Rot. Bonds4

About methyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate

methyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate (PubChem CID 144825954) has the molecular formula C11H12F3N3O4 and a molecular weight of 307.23 g/mol. Its IUPAC name is methyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate
PubChem CID144825954
Molecular FormulaC11H12F3N3O4
Molecular Weight307.23 g/mol
Exact Mass307.08
IUPAC Namemethyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate
SMILESCOC(=O)CN(OC)C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H12F3N3O4/c1-20-9(18)6-17(21-2)10(19)16-8-5-7(3-4-15-8)11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16,19)
InChIKeyBRONXJOVPXJNFX-UHFFFAOYSA-N
XLogP1.67
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]propanoic acid
CID 122089428
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
1-(1,1-dimethoxypropan-2-yl)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea;1-(1,1-dimethoxypropan-2-yl)-1-methylurea
CID 122604759
2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide
CID 170315431
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-3-carboxamide
CID 99819940
1-(2-methylsulfanylethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea
CID 154798205
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115681101
4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 66328053

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate?
The IUPAC name of methyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate (CID 144825954) is methyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate.
What is the SMILES notation for methyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate?
The canonical SMILES for methyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate is COC(=O)CN(OC)C(=O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of methyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate?
The InChIKey is BRONXJOVPXJNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O4/c1-20-9(18)6-17(21-2)10(19)16-8-5-7(3-4-15-8)11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16,19).
What are the key properties of methyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate?
methyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate has a molecular weight of 307.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methoxy-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]acetate is sourced from PubChem (CID 144825954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).