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

C12H16N2O4 — CID 114143616

IUPAC6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(NCC2(O)CCOC2)ccc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-8-9(11(15)16)2-3-10(14-8)13-6-12(17)4-5-18-7-12/h2-3,17H,4-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyIJYVDYWYUFATDJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.65
Rot. Bonds4

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

6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid (PubChem CID 114143616) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid
PubChem CID114143616
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(NCC2(O)CCOC2)ccc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-8-9(11(15)16)2-3-10(14-8)13-6-12(17)4-5-18-7-12/h2-3,17H,4-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyIJYVDYWYUFATDJ-UHFFFAOYSA-N
XLogP0.65
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-hydroxyoxolan-3-yl)methylamino]-5-methylbenzoic acid
CID 106101904
6-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid
CID 114143627
3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 103847710
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol
CID 104925043
3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol
CID 103847712
methyl 6-[[3-(2-hydroxyethyl)oxolan-3-yl]methylamino]-2-methylpyridine-3-carboxylate
CID 133420445
3-[[(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 154751499
3-[[(6-amino-2-phenylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103286
3-[[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]methyl]oxolan-3-ol
CID 106099457
3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 106102152
3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103610
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid (CID 114143616) is 6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid is Cc1nc(NCC2(O)CCOC2)ccc1C(=O)O.
What is the InChIKey of 6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid?
The InChIKey is IJYVDYWYUFATDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-9(11(15)16)2-3-10(14-8)13-6-12(17)4-5-18-7-12/h2-3,17H,4-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid?
6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 114143616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).