2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid

C11H14N2O5 — CID 170830150

IUPAC2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid
SMILESCC(=O)NCC(O)C(O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C11H14N2O5/c1-6(14)13-5-9(15)10(16)8-4-7(11(17)18)2-3-12-8/h2-4,9-10,15-16H,5H2,1H3,(H,13,14)(H,17,18)
InChIKeyGDOOUUWZFFJTQP-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.69
Rot. Bonds5

About 2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid

2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid (PubChem CID 170830150) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid
PubChem CID170830150
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid
SMILESCC(=O)NCC(O)C(O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C11H14N2O5/c1-6(14)13-5-9(15)10(16)8-4-7(11(17)18)2-3-12-8/h2-4,9-10,15-16H,5H2,1H3,(H,13,14)(H,17,18)
InChIKeyGDOOUUWZFFJTQP-UHFFFAOYSA-N
XLogP-0.69
TPSA119.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-acetamido-1,2-dihydroxypropyl)benzoic acid
CID 170829918
methyl 2-(3-acetylsulfanyl-1,2-dihydroxypropyl)pyridine-4-carboxylate
CID 170822396
N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170830162
3-(3-acetamido-1,2-dihydroxypropyl)-2-chlorobenzoic acid
CID 170830322
methyl 2-(4-acetylsulfanyl-1,2-dihydroxybutyl)pyridine-4-carboxylate
CID 171876346
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
2-[1-[[(E)-2,4-dimethylpent-1-enyl]amino]ethyl]pyridine-4-carboxylic acid
CID 130361688
3-(3-acetamido-1,2-dihydroxypropyl)-2-fluorobenzoic acid
CID 170830326
2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid
CID 55268372
N-[2,3-dihydroxy-3-(6-methyl-3-pyridinyl)propyl]acetamide
CID 170829544
benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate
CID 171855701
2-[(2-methylsulfanylpropylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113466776

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid (CID 170830150) is 2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid is CC(=O)NCC(O)C(O)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid?
The InChIKey is GDOOUUWZFFJTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-6(14)13-5-9(15)10(16)8-4-7(11(17)18)2-3-12-8/h2-4,9-10,15-16H,5H2,1H3,(H,13,14)(H,17,18).
What are the key properties of 2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid?
2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of -0.69, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 170830150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).