5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid

C13H19N3O3 — CID 114126633

IUPAC5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
SMILESCC1(CNc2ncc(C(=O)O)cc2N)CCOCC1
InChIInChI=1S/C13H19N3O3/c1-13(2-4-19-5-3-13)8-16-11-10(14)6-9(7-15-11)12(17)18/h6-7H,2-5,8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyXSHOLDZYMYOZIL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.59
Rot. Bonds4

About 5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid

5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 114126633) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID114126633
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
SMILESCC1(CNc2ncc(C(=O)O)cc2N)CCOCC1
InChIInChI=1S/C13H19N3O3/c1-13(2-4-19-5-3-13)8-16-11-10(14)6-9(7-15-11)12(17)18/h6-7H,2-5,8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyXSHOLDZYMYOZIL-UHFFFAOYSA-N
XLogP1.59
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.59
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-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid (CID 114126633) is 5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid is CC1(CNc2ncc(C(=O)O)cc2N)CCOCC1.
What is the InChIKey of 5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is XSHOLDZYMYOZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2-4-19-5-3-13)8-16-11-10(14)6-9(7-15-11)12(17)18/h6-7H,2-5,8,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid?
5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114126633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).