6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid

C11H15N3O3 — CID 83024698

IUPAC6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NN2CCOCC2)n1
InChIInChI=1S/C11H15N3O3/c1-8-2-3-9(11(15)16)10(12-8)13-14-4-6-17-7-5-14/h2-3H,4-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyHVSQVQXXVVOKOD-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.75
Rot. Bonds3

About 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid

6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid (PubChem CID 83024698) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid
PubChem CID83024698
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NN2CCOCC2)n1
InChIInChI=1S/C11H15N3O3/c1-8-2-3-9(11(15)16)10(12-8)13-14-4-6-17-7-5-14/h2-3H,4-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyHVSQVQXXVVOKOD-UHFFFAOYSA-N
XLogP0.75
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid (CID 83024698) is 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(NN2CCOCC2)n1.
What is the InChIKey of 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid?
The InChIKey is HVSQVQXXVVOKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-2-3-9(11(15)16)10(12-8)13-14-4-6-17-7-5-14/h2-3H,4-7H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid?
6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(morpholin-4-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 83024698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).