2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide

C12H18N4O2 — CID 112738407

IUPAC2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide
SMILESCCC(C)(NC(=O)c1cc(C)nc(N)c1)C(N)=O
InChIInChI=1S/C12H18N4O2/c1-4-12(3,11(14)18)16-10(17)8-5-7(2)15-9(13)6-8/h5-6H,4H2,1-3H3,(H2,13,15)(H2,14,18)(H,16,17)
InChIKeyUVNYSIWZPUQCHJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.36
Rot. Bonds4

About 2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide

2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide (PubChem CID 112738407) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide
PubChem CID112738407
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide
SMILESCCC(C)(NC(=O)c1cc(C)nc(N)c1)C(N)=O
InChIInChI=1S/C12H18N4O2/c1-4-12(3,11(14)18)16-10(17)8-5-7(2)15-9(13)6-8/h5-6H,4H2,1-3H3,(H2,13,15)(H2,14,18)(H,16,17)
InChIKeyUVNYSIWZPUQCHJ-UHFFFAOYSA-N
XLogP0.36
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide (CID 112738407) is 2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide is CCC(C)(NC(=O)c1cc(C)nc(N)c1)C(N)=O.
What is the InChIKey of 2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide?
The InChIKey is UVNYSIWZPUQCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-12(3,11(14)18)16-10(17)8-5-7(2)15-9(13)6-8/h5-6H,4H2,1-3H3,(H2,13,15)(H2,14,18)(H,16,17).
What are the key properties of 2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide?
2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-2-methyl-1-oxobutan-2-yl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 112738407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).