[5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate

C18H24F3N3O4 — CID 121347264

IUPAC[5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)Oc1ccc(C2CC2)c(OC(C)C(F)(F)F)n1)C(N)=O
InChIInChI=1S/C18H24F3N3O4/c1-9(2)8-13(15(22)25)23-17(26)28-14-7-6-12(11-4-5-11)16(24-14)27-10(3)18(19,20)21/h6-7,9-11,13H,4-5,8H2,1-3H3,(H2,22,25)(H,23,26)/t10?,13-/m0/s1
InChIKeyLZZGQNKRPNOQFS-HQVZTVAUSA-N
MW403.40 g/mol
LogP3.28
Rot. Bonds8

About [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate

[5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 121347264) has the molecular formula C18H24F3N3O4 and a molecular weight of 403.40 g/mol. Its IUPAC name is [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Name[5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID121347264
Molecular FormulaC18H24F3N3O4
Molecular Weight403.40 g/mol
Exact Mass403.17
IUPAC Name[5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)Oc1ccc(C2CC2)c(OC(C)C(F)(F)F)n1)C(N)=O
InChIInChI=1S/C18H24F3N3O4/c1-9(2)8-13(15(22)25)23-17(26)28-14-7-6-12(11-4-5-11)16(24-14)27-10(3)18(19,20)21/h6-7,9-11,13H,4-5,8H2,1-3H3,(H2,22,25)(H,23,26)/t10?,13-/m0/s1
InChIKeyLZZGQNKRPNOQFS-HQVZTVAUSA-N
XLogP3.28
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate with MolForge

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Related Compounds

[(2S)-3-methyl-1-oxo-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butan-2-yl]carbamic acid
CID 67529319
5-cyclopropyl-N-(2,2-dimethylpropyl)-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide
CID 76283336
5-Cyclopropyl-6-(2,2,2-trifluoro-1-methyl-ethoxy)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 86674802
tert-butyl N-[(2S)-3-methyl-1-oxo-1-[4-[5-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]butan-2-yl]carbamate
CID 91240812
N-(1-amino-4-methyl-1-oxopentan-2-yl)-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide
CID 121339448
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl] N-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 121347087
[6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[3-(methylcarbamoyl)pentan-3-yl]carbamate
CID 121347092
[5-cyclopropyl-6-[(4-fluorophenyl)methyl]-2-pyridinyl] N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]carbamate
CID 121347093
[6-(oxan-4-ylmethoxy)-5-(trifluoromethyl)-2-pyridinyl] N-[3-(methylcarbamoyl)pentan-3-yl]carbamate
CID 121347107
[5-cyclopropyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl] N-[3-(methylcarbamoyl)pentan-3-yl]carbamate
CID 121347121
[5-bromo-6-(4-fluorophenoxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
CID 121347129
[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

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate (CID 121347264) is [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)Oc1ccc(C2CC2)c(OC(C)C(F)(F)F)n1)C(N)=O.
What is the InChIKey of [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is LZZGQNKRPNOQFS-HQVZTVAUSA-N. The full InChI is InChI=1S/C18H24F3N3O4/c1-9(2)8-13(15(22)25)23-17(26)28-14-7-6-12(11-4-5-11)16(24-14)27-10(3)18(19,20)21/h6-7,9-11,13H,4-5,8H2,1-3H3,(H2,22,25)(H,23,26)/t10?,13-/m0/s1.
What are the key properties of [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate?
[5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 403.40 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 121347264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).