3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid

C11H15N3O3 — CID 106345806

IUPAC3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCC(C)C(Nc1cnccc1C(=O)O)C(N)=O
InChIInChI=1S/C11H15N3O3/c1-6(2)9(10(12)15)14-8-5-13-4-3-7(8)11(16)17/h3-6,9,14H,1-2H3,(H2,12,15)(H,16,17)
InChIKeyODZHBJPYOZHJAA-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.70
Rot. Bonds5

About 3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid

3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 106345806) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID106345806
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCC(C)C(Nc1cnccc1C(=O)O)C(N)=O
InChIInChI=1S/C11H15N3O3/c1-6(2)9(10(12)15)14-8-5-13-4-3-7(8)11(16)17/h3-6,9,14H,1-2H3,(H2,12,15)(H,16,17)
InChIKeyODZHBJPYOZHJAA-UHFFFAOYSA-N
XLogP0.70
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide
CID 106345936
3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 83187293
4-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-methylpyridine-3-carboxylic acid
CID 106345794
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid
CID 150717053
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide
CID 106347123
3-(butan-2-ylamino)pyridine-4-carbothioamide
CID 114288006
methyl 2-[(4-carbamothioyl-3-pyridinyl)amino]propanoate
CID 114288314
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-(trifluoromethyl)benzoic acid
CID 106345777
3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid
CID 114288736
3-methyl-2-(2-methylanilino)butanamide
CID 60679565
3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 105062601
N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide
CID 77389901

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid (CID 106345806) is 3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid is CC(C)C(Nc1cnccc1C(=O)O)C(N)=O.
What is the InChIKey of 3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is ODZHBJPYOZHJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6(2)9(10(12)15)14-8-5-13-4-3-7(8)11(16)17/h3-6,9,14H,1-2H3,(H2,12,15)(H,16,17).
What are the key properties of 3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid?
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106345806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).