methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate

C13H19N3O3 — CID 54917349

IUPACmethyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cc(N)cnc1C)C(C)C
InChIInChI=1S/C13H19N3O3/c1-7(2)11(13(18)19-4)16-12(17)10-5-9(14)6-15-8(10)3/h5-7,11H,14H2,1-4H3,(H,16,17)
InChIKeyDYDFVEOYCPPBTJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.90
Rot. Bonds4

About methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate

methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate (PubChem CID 54917349) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate
PubChem CID54917349
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cc(N)cnc1C)C(C)C
InChIInChI=1S/C13H19N3O3/c1-7(2)11(13(18)19-4)16-12(17)10-5-9(14)6-15-8(10)3/h5-7,11H,14H2,1-4H3,(H,16,17)
InChIKeyDYDFVEOYCPPBTJ-UHFFFAOYSA-N
XLogP0.90
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate (CID 54917349) is methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1cc(N)cnc1C)C(C)C.
What is the InChIKey of methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate?
The InChIKey is DYDFVEOYCPPBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-7(2)11(13(18)19-4)16-12(17)10-5-9(14)6-15-8(10)3/h5-7,11H,14H2,1-4H3,(H,16,17).
What are the key properties of methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate has a molecular weight of 265.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 54917349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).