5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide

C12H18N4O2 — CID 106095327

IUPAC5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C12H18N4O2/c1-7-9(4-8(13)6-15-7)11(18)16-12(2,3)5-10(14)17/h4,6H,5,13H2,1-3H3,(H2,14,17)(H,16,18)
InChIKeyZMOUBAZEHINMKU-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.36
Rot. Bonds4

About 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide

5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide (PubChem CID 106095327) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide
PubChem CID106095327
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C12H18N4O2/c1-7-9(4-8(13)6-15-7)11(18)16-12(2,3)5-10(14)17/h4,6H,5,13H2,1-3H3,(H2,14,17)(H,16,18)
InChIKeyZMOUBAZEHINMKU-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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Related Compounds

5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide
CID 114152401
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide
CID 106095391
ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 106098243
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide
CID 106095375
1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide
CID 106098409
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-nitrobenzamide
CID 106098370
5-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
CID 61139255
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 104579469
5-amino-N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 61039080
5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 61040311
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide
CID 114143178

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide (CID 106095327) is 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide is Cc1ncc(N)cc1C(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is ZMOUBAZEHINMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7-9(4-8(13)6-15-7)11(18)16-12(2,3)5-10(14)17/h4,6H,5,13H2,1-3H3,(H2,14,17)(H,16,18).
What are the key properties of 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide?
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-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 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 106095327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).