methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate

C12H17BrN2O2 — CID 79718493

IUPACmethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(Nc1ncc(Br)cc1C)C(C)C
InChIInChI=1S/C12H17BrN2O2/c1-7(2)10(12(16)17-4)15-11-8(3)5-9(13)6-14-11/h5-7,10H,1-4H3,(H,14,15)
InChIKeyGPTZTVYFYYSRLF-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.76
Rot. Bonds4

About methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate

methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate (PubChem CID 79718493) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate
PubChem CID79718493
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Namemethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(Nc1ncc(Br)cc1C)C(C)C
InChIInChI=1S/C12H17BrN2O2/c1-7(2)10(12(16)17-4)15-11-8(3)5-9(13)6-14-11/h5-7,10H,1-4H3,(H,14,15)
InChIKeyGPTZTVYFYYSRLF-UHFFFAOYSA-N
XLogP2.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate with MolForge

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Related Compounds

5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine
CID 79718710
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106186160
2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide
CID 106345901
(2S)-2-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 122049570
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350476
1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea
CID 83170861
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate
CID 83170551
methyl 3-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoate
CID 79713622
5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine
CID 79718700
5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 79717768
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 66326146

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate (CID 79718493) is methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate is COC(=O)C(Nc1ncc(Br)cc1C)C(C)C.
What is the InChIKey of methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate?
The InChIKey is GPTZTVYFYYSRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-7(2)10(12(16)17-4)15-11-8(3)5-9(13)6-14-11/h5-7,10H,1-4H3,(H,14,15).
What are the key properties of methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate?
methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate has a molecular weight of 301.18 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate is sourced from PubChem (CID 79718493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).