methyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate

C18H23F3N2O4 — CID 71087209

IUPACmethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCC(CC)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)C(=O)OC
InChIInChI=1S/C18H23F3N2O4/c1-4-17(5-2,16(25)26-3)23-14(24)13-9-8-12(18(19,20)21)15(22-13)27-10-11-6-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,23,24)
InChIKeyQDFPOVRGHXOWDO-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.35
Rot. Bonds8

About methyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate

methyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate (PubChem CID 71087209) has the molecular formula C18H23F3N2O4 and a molecular weight of 388.39 g/mol. Its IUPAC name is methyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
PubChem CID71087209
Molecular FormulaC18H23F3N2O4
Molecular Weight388.39 g/mol
Exact Mass388.16
IUPAC Namemethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCC(CC)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)C(=O)OC
InChIInChI=1S/C18H23F3N2O4/c1-4-17(5-2,16(25)26-3)23-14(24)13-9-8-12(18(19,20)21)15(22-13)27-10-11-6-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,23,24)
InChIKeyQDFPOVRGHXOWDO-UHFFFAOYSA-N
XLogP3.35
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The IUPAC name of methyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate (CID 71087209) is methyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate.
What is the SMILES notation for methyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The canonical SMILES for methyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate is CCC(CC)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)C(=O)OC.
What is the InChIKey of methyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The InChIKey is QDFPOVRGHXOWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O4/c1-4-17(5-2,16(25)26-3)23-14(24)13-9-8-12(18(19,20)21)15(22-13)27-10-11-6-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,23,24).
What are the key properties of methyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
methyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate has a molecular weight of 388.39 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate is sourced from PubChem (CID 71087209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).