N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide

C9H12N2O4 — CID 104580697

IUPACN-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NC(CO)CO)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H12N2O4/c12-4-7(5-13)11-9(15)6-1-2-10-8(14)3-6/h1-3,7,12-13H,4-5H2,(H,10,14)(H,11,15)
InChIKeyJSEUQEHIGSIYFQ-UHFFFAOYSA-N
MW212.20 g/mol
LogP-1.54
Rot. Bonds4

About N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide

N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 104580697) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID104580697
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NC(CO)CO)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H12N2O4/c12-4-7(5-13)11-9(15)6-1-2-10-8(14)3-6/h1-3,7,12-13H,4-5H2,(H,10,14)(H,11,15)
InChIKeyJSEUQEHIGSIYFQ-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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Related Compounds

N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762776
N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103839182
4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 114039670
N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764863
(2S,3S)-3-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 103850155
N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 65314932
N-(1,3-dihydroxypropan-2-yl)-3-sulfanylbenzamide
CID 107031183
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 104630036
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999059
3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 106703085
N-(1-cyclohexylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765034
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 113429194

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide (CID 104580697) is N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide is O=C(NC(CO)CO)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is JSEUQEHIGSIYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-4-7(5-13)11-9(15)6-1-2-10-8(14)3-6/h1-3,7,12-13H,4-5H2,(H,10,14)(H,11,15).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-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-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 104580697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).