2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid

C13H18N2O4 — CID 104762268

IUPAC2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid
SMILESCOC1(CNc2cc(C(=O)O)cc(C)n2)CCOC1
InChIInChI=1S/C13H18N2O4/c1-9-5-10(12(16)17)6-11(15-9)14-7-13(18-2)3-4-19-8-13/h5-6H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyONIBYXZTDKSAQB-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.31
Rot. Bonds5

About 2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid

2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid (PubChem CID 104762268) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid
PubChem CID104762268
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid
SMILESCOC1(CNc2cc(C(=O)O)cc(C)n2)CCOC1
InChIInChI=1S/C13H18N2O4/c1-9-5-10(12(16)17)6-11(15-9)14-7-13(18-2)3-4-19-8-13/h5-6H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyONIBYXZTDKSAQB-UHFFFAOYSA-N
XLogP1.31
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid (CID 104762268) is 2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid is COC1(CNc2cc(C(=O)O)cc(C)n2)CCOC1.
What is the InChIKey of 2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid?
The InChIKey is ONIBYXZTDKSAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-5-10(12(16)17)6-11(15-9)14-7-13(18-2)3-4-19-8-13/h5-6H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid?
2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 104762268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).