2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid

C10H14N2O5 — CID 107853535

IUPAC2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC(CO)(CO)CO)c1
InChIInChI=1S/C10H14N2O5/c13-4-10(5-14,6-15)12-8-3-7(9(16)17)1-2-11-8/h1-3,13-15H,4-6H2,(H,11,12)(H,16,17)
InChIKeyJXNZFCRJCVSEHD-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.09
Rot. Bonds6

About 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid

2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid (PubChem CID 107853535) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid
PubChem CID107853535
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC(CO)(CO)CO)c1
InChIInChI=1S/C10H14N2O5/c13-4-10(5-14,6-15)12-8-3-7(9(16)17)1-2-11-8/h1-3,13-15H,4-6H2,(H,11,12)(H,16,17)
InChIKeyJXNZFCRJCVSEHD-UHFFFAOYSA-N
XLogP-1.09
TPSA122.91 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carboxylate
CID 114075125
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
2-hydrazinylpyridine-4-carboxylic acid
CID 26967246
2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid
CID 106148732
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 65035612
2-tert-butyl-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid
CID 107853573
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456
2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid
CID 84610177
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
CID 106400845
2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
CID 60903144
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 79350996
2-(1,1-difluoro-2-hydroxyethyl)pyridine-4-carboxylic acid
CID 118949073

Frequently Asked Questions

What is the IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid (CID 107853535) is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NC(CO)(CO)CO)c1.
What is the InChIKey of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid?
The InChIKey is JXNZFCRJCVSEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c13-4-10(5-14,6-15)12-8-3-7(9(16)17)1-2-11-8/h1-3,13-15H,4-6H2,(H,11,12)(H,16,17).
What are the key properties of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid?
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of -1.09, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107853535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).