tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate

C14H20Br2N2O3 — CID 175410962

IUPACtert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate
SMILESCc1nc(OCC(C)NC(=O)OC(C)(C)C)c(Br)cc1Br
InChIInChI=1S/C14H20Br2N2O3/c1-8(17-13(19)21-14(3,4)5)7-20-12-11(16)6-10(15)9(2)18-12/h6,8H,7H2,1-5H3,(H,17,19)
InChIKeyQZVVFXDJDXCGIO-UHFFFAOYSA-N
MW424.13 g/mol
LogP4.21
Rot. Bonds4

About tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate

tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate (PubChem CID 175410962) has the molecular formula C14H20Br2N2O3 and a molecular weight of 424.13 g/mol. Its IUPAC name is tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate
PubChem CID175410962
Molecular FormulaC14H20Br2N2O3
Molecular Weight424.13 g/mol
Exact Mass421.98
IUPAC Nametert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate
SMILESCc1nc(OCC(C)NC(=O)OC(C)(C)C)c(Br)cc1Br
InChIInChI=1S/C14H20Br2N2O3/c1-8(17-13(19)21-14(3,4)5)7-20-12-11(16)6-10(15)9(2)18-12/h6,8H,7H2,1-5H3,(H,17,19)
InChIKeyQZVVFXDJDXCGIO-UHFFFAOYSA-N
XLogP4.21
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.13
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-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

Related Compounds

tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate
CID 172851620
tert-butyl N-[1-[(2-chloro-3-methyl-4-pyridinyl)oxy]propan-2-yl]carbamate
CID 167472228
tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate
CID 131749930
tert-butyl N-[(2R)-1-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]propan-2-yl]carbamate
CID 102037422
ethyl 3-fluoro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate
CID 67778422
tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate
CID 123462031
tert-butyl N-[1-[2,6-dimethyl-4-(2,2,3,3-tetrafluoropropanoyl)phenoxy]propan-2-yl]carbamate
CID 138756094
tert-butyl N-[(2S)-1-[(4-chloro-5-nitro-2-pyridinyl)oxy]propan-2-yl]carbamate
CID 86731217
tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
CID 107247937
tert-butyl N-[(2S)-1-(3-bromo-2-methylphenyl)-1-oxopropan-2-yl]carbamate
CID 139886108

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate (CID 175410962) is tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate is Cc1nc(OCC(C)NC(=O)OC(C)(C)C)c(Br)cc1Br.
What is the InChIKey of tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate?
The InChIKey is QZVVFXDJDXCGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O3/c1-8(17-13(19)21-14(3,4)5)7-20-12-11(16)6-10(15)9(2)18-12/h6,8H,7H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate?
tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate has a molecular weight of 424.13 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate is sourced from PubChem (CID 175410962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).