methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate

C14H19BrN2O4 — CID 43431541

IUPACmethyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)Cn1cc(Br)ccc1=O)C(=O)OC
InChIInChI=1S/C14H19BrN2O4/c1-4-7-14(2,13(20)21-3)16-11(18)9-17-8-10(15)5-6-12(17)19/h5-6,8H,4,7,9H2,1-3H3,(H,16,18)
InChIKeyDALIGUZKCIEEEK-UHFFFAOYSA-N
MW359.22 g/mol
LogP1.46
Rot. Bonds6

About methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate

methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate (PubChem CID 43431541) has the molecular formula C14H19BrN2O4 and a molecular weight of 359.22 g/mol. Its IUPAC name is methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate
PubChem CID43431541
Molecular FormulaC14H19BrN2O4
Molecular Weight359.22 g/mol
Exact Mass358.05
IUPAC Namemethyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)Cn1cc(Br)ccc1=O)C(=O)OC
InChIInChI=1S/C14H19BrN2O4/c1-4-7-14(2,13(20)21-3)16-11(18)9-17-8-10(15)5-6-12(17)19/h5-6,8H,4,7,9H2,1-3H3,(H,16,18)
InChIKeyDALIGUZKCIEEEK-UHFFFAOYSA-N
XLogP1.46
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate 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

Methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 86982612
5-bromo-1H-pyridin-2-one;ethyl 2-(5-bromo-2-oxo-1-pyridinyl)-4-methylpentanoate;ethyl 2,4-dimethylpentanoate
CID 160922389
Methyl 2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate
CID 167446055
methyl (2S)-2-(3-amino-2-oxo-1-pyridinyl)-4-methylpentanoate
CID 168106743
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-methylpentanoic acid
CID 43245235
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid
CID 43245236
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-cyclopropylpropanoic acid
CID 43360527
Methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoate
CID 43406962
Methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate
CID 43431195
Methyl 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate
CID 43431198
Methyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]pentanoate
CID 43431508
Methyl 2-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoate
CID 43431542

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate (CID 43431541) is methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate is CCCC(C)(NC(=O)Cn1cc(Br)ccc1=O)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate?
The InChIKey is DALIGUZKCIEEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4/c1-4-7-14(2,13(20)21-3)16-11(18)9-17-8-10(15)5-6-12(17)19/h5-6,8H,4,7,9H2,1-3H3,(H,16,18).
What are the key properties of methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate?
methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate has a molecular weight of 359.22 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylpentanoate is sourced from PubChem (CID 43431541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).