N-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide

C9H12N2O4 — CID 66176889

IUPACN-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC(O)CO)c1ccc[nH]c1=O
InChIInChI=1S/C9H12N2O4/c12-5-6(13)4-11-9(15)7-2-1-3-10-8(7)14/h1-3,6,12-13H,4-5H2,(H,10,14)(H,11,15)
InChIKeyAFJIJBIMIXEQEZ-UHFFFAOYSA-N
MW212.20 g/mol
LogP-1.54
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide

N-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 66176889) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID66176889
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC NameN-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC(O)CO)c1ccc[nH]c1=O
InChIInChI=1S/C9H12N2O4/c12-5-6(13)4-11-9(15)7-2-1-3-10-8(7)14/h1-3,6,12-13H,4-5H2,(H,10,14)(H,11,15)
InChIKeyAFJIJBIMIXEQEZ-UHFFFAOYSA-N
XLogP-1.54
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide (CID 66176889) is N-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide is O=C(NCC(O)CO)c1ccc[nH]c1=O.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AFJIJBIMIXEQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-5-6(13)4-11-9(15)7-2-1-3-10-8(7)14/h1-3,6,12-13H,4-5H2,(H,10,14)(H,11,15).
What are the key properties of N-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 212.20 g/mol, XLogP of -1.54, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66176889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).