[1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate

C13H19N3O3 — CID 81317384

IUPAC[1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate
SMILESCCC(C)NC(=O)C(C)OC(=O)c1ccc(N)cn1
InChIInChI=1S/C13H19N3O3/c1-4-8(2)16-12(17)9(3)19-13(18)11-6-5-10(14)7-15-11/h5-9H,4,14H2,1-3H3,(H,16,17)
InChIKeyDESLEEQKHGUEMP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.12
Rot. Bonds5

About [1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate

[1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate (PubChem CID 81317384) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name[1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate
PubChem CID81317384
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate
SMILESCCC(C)NC(=O)C(C)OC(=O)c1ccc(N)cn1
InChIInChI=1S/C13H19N3O3/c1-4-8(2)16-12(17)9(3)19-13(18)11-6-5-10(14)7-15-11/h5-9H,4,14H2,1-3H3,(H,16,17)
InChIKeyDESLEEQKHGUEMP-UHFFFAOYSA-N
XLogP1.12
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate with MolForge

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Related Compounds

[2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
CID 81316734
[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate
CID 81312797
5-amino-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 81317024
2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
CID 107337332
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 60718359
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 3-amino-4-methoxybenzoate
CID 61322426
5-amino-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 81315869
[3-(ethylamino)-3-oxopropyl] 5-aminopyridine-2-carboxylate
CID 81315855
1-(5-amino-2-pyridinyl)-2-ethylbutan-1-one
CID 116605325
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61314727
5-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxypyridine-2-carboxylic acid
CID 79794781
butyl 5-aminopyridine-2-carboxylate
CID 81315833

Frequently Asked Questions

What is the IUPAC name of [1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate?
The IUPAC name of [1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate (CID 81317384) is [1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate.
What is the SMILES notation for [1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate?
The canonical SMILES for [1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate is CCC(C)NC(=O)C(C)OC(=O)c1ccc(N)cn1.
What is the InChIKey of [1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate?
The InChIKey is DESLEEQKHGUEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-8(2)16-12(17)9(3)19-13(18)11-6-5-10(14)7-15-11/h5-9H,4,14H2,1-3H3,(H,16,17).
What are the key properties of [1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate?
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(butan-2-ylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81317384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).