5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid

C11H17N3O3 — CID 81438845

IUPAC5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid
SMILESCOCCC(C)Nc1ncc(C(=O)O)cc1N
InChIInChI=1S/C11H17N3O3/c1-7(3-4-17-2)14-10-9(12)5-8(6-13-10)11(15)16/h5-7H,3-4,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyZGDNSJJTMLDRPF-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.20
Rot. Bonds6

About 5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid

5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 81438845) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID81438845
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid
SMILESCOCCC(C)Nc1ncc(C(=O)O)cc1N
InChIInChI=1S/C11H17N3O3/c1-7(3-4-17-2)14-10-9(12)5-8(6-13-10)11(15)16/h5-7H,3-4,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyZGDNSJJTMLDRPF-UHFFFAOYSA-N
XLogP1.20
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid (CID 81438845) is 5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid is COCCC(C)Nc1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is ZGDNSJJTMLDRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(3-4-17-2)14-10-9(12)5-8(6-13-10)11(15)16/h5-7H,3-4,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid?
5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81438845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).