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

C19H25F3N2O4 — CID 71087413

IUPACethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1
InChIInChI=1S/C19H25F3N2O4/c1-4-18(5-2,17(26)27-6-3)24-15(25)14-10-9-13(19(20,21)22)16(23-14)28-11-12-7-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,24,25)
InChIKeyNHWXZGIAUNNFIB-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.74
Rot. Bonds9

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

ethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate (PubChem CID 71087413) has the molecular formula C19H25F3N2O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is ethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate.

Molecular Properties

Compound Nameethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
PubChem CID71087413
Molecular FormulaC19H25F3N2O4
Molecular Weight402.41 g/mol
Exact Mass402.18
IUPAC Nameethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)(CC)NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1
InChIInChI=1S/C19H25F3N2O4/c1-4-18(5-2,17(26)27-6-3)24-15(25)14-10-9-13(19(20,21)22)16(23-14)28-11-12-7-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,24,25)
InChIKeyNHWXZGIAUNNFIB-UHFFFAOYSA-N
XLogP3.74
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridin-2-yl]-(2,2-dimethyl-pyrrolidin-1-yl)-methanone
CID 76283339
(1,1,2,2,3,3-hexadeuterio-3-(18F)fluoropropyl) 2-ethyl-2-[[6-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoate
CID 156273653
6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid (1-ethyl-1-methylcarbamoyl-propyl)-amide
CID 71113198
6-(cyclopropylmethoxy)-N-[3-(3-fluoroazetidine-1-carbonyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
CID 118418666
Ethyl 2-(6-(Cyclopropylmethoxy)-5-(3-methoxyazetidin-1-yl)picolinamido)-2-ethylbutanoate
CID 118418701
6-(cyclopropylmethoxy)-N-[3-(3-fluoropropylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
CID 118418707
6-(cyclopropylmethoxy)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
CID 118418720
(S)-5-Cyclopropyl-6-(cyclopropylmethoxy)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)picolinamide
CID 71087381
2-Ethyl-2-{[6-(tetrahydro-pyran-4-ylmethoxy)-5-trifluoromethyl-pyridine-2-carbonyl]-amino}-butyric acid methyl ester
CID 71087415
2-{[5-Cyclopropyl-6-(tetrahydro-furan-2-ylmethoxy)-pyridine-2-carbonyl]-amino}-2-ethyl-butyric acid methyl ester
CID 71087666
6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105611
N-[1-(2-Amino-2-oxoethyl)cyclobutyl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
CID 76287670

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The IUPAC name of ethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate (CID 71087413) is ethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate.
What is the SMILES notation for ethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The canonical SMILES for ethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate is CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1.
What is the InChIKey of ethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The InChIKey is NHWXZGIAUNNFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O4/c1-4-18(5-2,17(26)27-6-3)24-15(25)14-10-9-13(19(20,21)22)16(23-14)28-11-12-7-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,24,25).
What are the key properties of ethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
ethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate has a molecular weight of 402.41 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate is sourced from PubChem (CID 71087413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).