5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid

C11H15N3O3 — CID 81079129

IUPAC5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid
SMILESCC(CN)CC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C11H15N3O3/c1-7(4-12)2-10(15)14-9-3-8(11(16)17)5-13-6-9/h3,5-7H,2,4,12H2,1H3,(H,14,15)(H,16,17)
InChIKeyHYKKZZVXVJWYDQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.70
Rot. Bonds5

About 5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid

5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid (PubChem CID 81079129) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid
PubChem CID81079129
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid
SMILESCC(CN)CC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C11H15N3O3/c1-7(4-12)2-10(15)14-9-3-8(11(16)17)5-13-6-9/h3,5-7H,2,4,12H2,1H3,(H,14,15)(H,16,17)
InChIKeyHYKKZZVXVJWYDQ-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

3-[(4-amino-3-methylbutanoyl)amino]benzoic acid
CID 81087394
4-amino-3-methyl-N-pyridin-3-ylbutanamide
CID 81070233
5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid
CID 79022911
5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79694248
5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
CID 63154540
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597
5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid
CID 63154469
4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide
CID 81070502
5-(2-aminopentanoylamino)pyridine-3-carboxylic acid
CID 55164466
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63957326
5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 113457986

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid (CID 81079129) is 5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid is CC(CN)CC(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is HYKKZZVXVJWYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(4-12)2-10(15)14-9-3-8(11(16)17)5-13-6-9/h3,5-7H,2,4,12H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid?
5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-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 5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81079129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).