5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid

C11H15N3O4 — CID 81440048

IUPAC5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1NCC1COCCO1
InChIInChI=1S/C11H15N3O4/c12-9-3-7(11(15)16)4-13-10(9)14-5-8-6-17-1-2-18-8/h3-4,8H,1-2,5-6,12H2,(H,13,14)(H,15,16)
InChIKeyQBGKTSVNVRLJHU-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.19
Rot. Bonds4

About 5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid

5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 81440048) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID81440048
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1NCC1COCCO1
InChIInChI=1S/C11H15N3O4/c12-9-3-7(11(15)16)4-13-10(9)14-5-8-6-17-1-2-18-8/h3-4,8H,1-2,5-6,12H2,(H,13,14)(H,15,16)
InChIKeyQBGKTSVNVRLJHU-UHFFFAOYSA-N
XLogP0.19
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,4-dioxan-2-ylmethylamino)-5-nitropyridine-3-carboxylic acid
CID 81438444
5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114401101
4-(1,4-dioxan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 63263613
3-bromo-2-N-(1,4-dioxan-2-ylmethyl)-4-methylpyridine-2,5-diamine
CID 104506484
5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
CID 114126633
2-(1,4-dioxan-2-ylmethylamino)-1,3-benzoxazole-6-carboxylic acid
CID 116690808
3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine
CID 105366774
5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine
CID 104923956
5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 79071332
5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid
CID 83115123
5-amino-6-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81439609
5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81438945

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid (CID 81440048) is 5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1NCC1COCCO1.
What is the InChIKey of 5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is QBGKTSVNVRLJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c12-9-3-7(11(15)16)4-13-10(9)14-5-8-6-17-1-2-18-8/h3-4,8H,1-2,5-6,12H2,(H,13,14)(H,15,16).
What are the key properties of 5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid?
5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81440048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).