5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide

C10H13N3O4 — CID 151969926

IUPAC5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide
SMILESNC(=O)c1cncc(C(=O)NC(CO)CO)c1
InChIInChI=1S/C10H13N3O4/c11-9(16)6-1-7(3-12-2-6)10(17)13-8(4-14)5-15/h1-3,8,14-15H,4-5H2,(H2,11,16)(H,13,17)
InChIKeyUALJYTRUTPJOLO-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.74
Rot. Bonds5

About 5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide

5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide (PubChem CID 151969926) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide
PubChem CID151969926
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide
SMILESNC(=O)c1cncc(C(=O)NC(CO)CO)c1
InChIInChI=1S/C10H13N3O4/c11-9(16)6-1-7(3-12-2-6)10(17)13-8(4-14)5-15/h1-3,8,14-15H,4-5H2,(H2,11,16)(H,13,17)
InChIKeyUALJYTRUTPJOLO-UHFFFAOYSA-N
XLogP-1.74
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Nicorandil
CID 47528
Nicotinuric Acid
CID 68499
N-Ethylnicotinamide
CID 78007
N-(Hydroxymethyl)nicotinamide
CID 77116
4-((3-Pyridinylcarbonyl)amino)butanoic acid
CID 60608
N-Hydroxyethylisonicotinamide
CID 73327
5-Methylnicotinamide
CID 65560
N-(2-hydroxyethyl)nicotinamide
CID 72663
SG 1842
CID 571799
(3S)-4-oxo-3-(pyridin-3-ylformamido)butanoic acid
CID 9859323
SG 209
CID 134230
N-(2,2-dimethoxyethyl)nicotinamide
CID 7314123

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide (CID 151969926) is 5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide is NC(=O)c1cncc(C(=O)NC(CO)CO)c1.
What is the InChIKey of 5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide?
The InChIKey is UALJYTRUTPJOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c11-9(16)6-1-7(3-12-2-6)10(17)13-8(4-14)5-15/h1-3,8,14-15H,4-5H2,(H2,11,16)(H,13,17).
What are the key properties of 5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide?
5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide has a molecular weight of 239.23 g/mol, XLogP of -1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 151969926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).