tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate

C22H29F3N2O4 — CID 90203437

IUPACtert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate
SMILESCC(C)(C)OC(=O)CC(C)(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C1CC1
InChIInChI=1S/C22H29F3N2O4/c1-20(2,3)31-18(28)10-21(4,14-7-8-14)27-19(29)16-9-17(30-12-22(23,24)25)15(11-26-16)13-5-6-13/h9,11,13-14H,5-8,10,12H2,1-4H3,(H,27,29)
InChIKeyVYNBTOXARBMZPT-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.53
Rot. Bonds8

About tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate

tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate (PubChem CID 90203437) has the molecular formula C22H29F3N2O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate.

Molecular Properties

Compound Nametert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate
PubChem CID90203437
Molecular FormulaC22H29F3N2O4
Molecular Weight442.48 g/mol
Exact Mass442.21
IUPAC Nametert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate
SMILESCC(C)(C)OC(=O)CC(C)(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C1CC1
InChIInChI=1S/C22H29F3N2O4/c1-20(2,3)31-18(28)10-21(4,14-7-8-14)27-19(29)16-9-17(30-12-22(23,24)25)15(11-26-16)13-5-6-13/h9,11,13-14H,5-8,10,12H2,1-4H3,(H,27,29)
InChIKeyVYNBTOXARBMZPT-UHFFFAOYSA-N
XLogP4.53
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90205070
N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90204122
5-cyclopropyl-N-[2-cyclopropyl-4-(methylamino)-4-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204924
N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide
CID 90204486
N-[(2S)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 129216330
tert-butyl 2-(cyclopropylmethyl)-4-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-methyl-4-oxobutanoate
CID 158986571
5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine
CID 158536635
5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 141483742
5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90214915
N-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 141483720
5-cyclopropyl-N-[(1R)-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 118539973
N-[(Z)-3-amino-2-cyclopropyl-4-(hydroxymethyl)hex-3-en-2-yl]-5-bromo-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90214908

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate?
The IUPAC name of tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate (CID 90203437) is tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate.
What is the SMILES notation for tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate?
The canonical SMILES for tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate is CC(C)(C)OC(=O)CC(C)(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C1CC1.
What is the InChIKey of tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate?
The InChIKey is VYNBTOXARBMZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2O4/c1-20(2,3)31-18(28)10-21(4,14-7-8-14)27-19(29)16-9-17(30-12-22(23,24)25)15(11-26-16)13-5-6-13/h9,11,13-14H,5-8,10,12H2,1-4H3,(H,27,29).
What are the key properties of tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate?
tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate has a molecular weight of 442.48 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate is sourced from PubChem (CID 90203437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).