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

C13H18N2O4 — CID 104762255

IUPAC4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCOC1(CNc2cc(C)ncc2C(=O)O)CCOC1
InChIInChI=1S/C13H18N2O4/c1-9-5-11(10(6-14-9)12(16)17)15-7-13(18-2)3-4-19-8-13/h5-6H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGZIXRGORQJLFKD-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.31
Rot. Bonds5

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

4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 104762255) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID104762255
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCOC1(CNc2cc(C)ncc2C(=O)O)CCOC1
InChIInChI=1S/C13H18N2O4/c1-9-5-11(10(6-14-9)12(16)17)15-7-13(18-2)3-4-19-8-13/h5-6H,3-4,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGZIXRGORQJLFKD-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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Related Compounds

6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
CID 114125756
5-chloro-2-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114919956
5-amino-2-fluoro-4-[(3-methoxyoxolan-3-yl)methylamino]benzoic acid
CID 104759017
2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid
CID 104762268
6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81243694
6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81243824
4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 83121725
ethyl 2-[(3-methoxyoxolan-3-yl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 104705516
3-fluoro-5-[(3-methoxyoxolan-3-yl)methylamino]benzoic acid
CID 167789164
3-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyridin-2-amine
CID 105367120
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103266355

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid (CID 104762255) is 4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid is COC1(CNc2cc(C)ncc2C(=O)O)CCOC1.
What is the InChIKey of 4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is GZIXRGORQJLFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-5-11(10(6-14-9)12(16)17)15-7-13(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 4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid?
4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-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 4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 104762255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).