tert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate

C14H20F2N4O3 — CID 68714361

IUPACtert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)NNc1ncc(F)cc1F
InChIInChI=1S/C14H20F2N4O3/c1-13(2,3)23-12(22)18-14(4,5)11(21)20-19-10-9(16)6-8(15)7-17-10/h6-7H,1-5H3,(H,17,19)(H,18,22)(H,20,21)
InChIKeyBQRITMSCUZCIQX-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.11
Rot. Bonds4

About tert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 68714361) has the molecular formula C14H20F2N4O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID68714361
Molecular FormulaC14H20F2N4O3
Molecular Weight330.34 g/mol
Exact Mass330.15
IUPAC Nametert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)NNc1ncc(F)cc1F
InChIInChI=1S/C14H20F2N4O3/c1-13(2,3)23-12(22)18-14(4,5)11(21)20-19-10-9(16)6-8(15)7-17-10/h6-7H,1-5H3,(H,17,19)(H,18,22)(H,20,21)
InChIKeyBQRITMSCUZCIQX-UHFFFAOYSA-N
XLogP2.11
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
CID 167721913
tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate
CID 124909096
tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate
CID 118336731
tert-butyl 4-[(3-carbamoyl-5-fluoro-2-pyridinyl)amino]-4-oxobutanoate
CID 118299440
(4-hydroxyphenyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 90910009
tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate
CID 164562642
tert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate
CID 154946470
tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate
CID 155894591
tert-butyl 2-amino-5-fluoropyridine-3-carboxylate
CID 133055354
tert-butyl N-[4-[[2-(ethylamino)-5-fluoro-3-pyridinyl]amino]cyclohexyl]carbamate;ethane
CID 145414377
tert-butyl N-[1-(2,5-difluorophenyl)-2-fluoro-3-oxopropan-2-yl]carbamate
CID 123851899
tert-butyl N-[2-[[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]amino]-2-oxo-1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]ethyl]carbamate
CID 177351469

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate (CID 68714361) is tert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)C(=O)NNc1ncc(F)cc1F.
What is the InChIKey of tert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate?
The InChIKey is BQRITMSCUZCIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O3/c1-13(2,3)23-12(22)18-14(4,5)11(21)20-19-10-9(16)6-8(15)7-17-10/h6-7H,1-5H3,(H,17,19)(H,18,22)(H,20,21).
What are the key properties of tert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 330.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(3,5-difluoro-2-pyridinyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 68714361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).