[5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate

C20H26F5N3O4 — CID 121347140

IUPAC[5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
SMILESCNC(=O)[C@H](CC(C)(C)C)NC(=O)Oc1ccc(C2CC2)c(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C20H26F5N3O4/c1-18(2,3)9-13(15(29)26-4)27-17(30)32-14-8-7-12(11-5-6-11)16(28-14)31-10-19(21,22)20(23,24)25/h7-8,11,13H,5-6,9-10H2,1-4H3,(H,26,29)(H,27,30)/t13-/m0/s1
InChIKeyHOQBRTCEZRBPLK-ZDUSSCGKSA-N
MW467.44 g/mol
LogP4.17
Rot. Bonds8

About [5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate

[5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate (PubChem CID 121347140) has the molecular formula C20H26F5N3O4 and a molecular weight of 467.44 g/mol. Its IUPAC name is [5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Name[5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
PubChem CID121347140
Molecular FormulaC20H26F5N3O4
Molecular Weight467.44 g/mol
Exact Mass467.18
IUPAC Name[5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
SMILESCNC(=O)[C@H](CC(C)(C)C)NC(=O)Oc1ccc(C2CC2)c(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C20H26F5N3O4/c1-18(2,3)9-13(15(29)26-4)27-17(30)32-14-8-7-12(11-5-6-11)16(28-14)31-10-19(21,22)20(23,24)25/h7-8,11,13H,5-6,9-10H2,1-4H3,(H,26,29)(H,27,30)/t13-/m0/s1
InChIKeyHOQBRTCEZRBPLK-ZDUSSCGKSA-N
XLogP4.17
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
The IUPAC name of [5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate (CID 121347140) is [5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for [5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
The canonical SMILES for [5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate is CNC(=O)[C@H](CC(C)(C)C)NC(=O)Oc1ccc(C2CC2)c(OCC(F)(F)C(F)(F)F)n1.
What is the InChIKey of [5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
The InChIKey is HOQBRTCEZRBPLK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H26F5N3O4/c1-18(2,3)9-13(15(29)26-4)27-17(30)32-14-8-7-12(11-5-6-11)16(28-14)31-10-19(21,22)20(23,24)25/h7-8,11,13H,5-6,9-10H2,1-4H3,(H,26,29)(H,27,30)/t13-/m0/s1.
What are the key properties of [5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
[5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate has a molecular weight of 467.44 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 121347140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).