5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid

C9H12N4O6 — CID 70630294

IUPAC5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid
SMILESNC(=O)c1cncc(C(=O)NCCO)c1.O=[N+]([O-])O
InChIInChI=1S/C9H11N3O3.HNO3/c10-8(14)6-3-7(5-11-4-6)9(15)12-1-2-13;2-1(3)4/h3-5,13H,1-2H2,(H2,10,14)(H,12,15);(H,2,3,4)
InChIKeyFIOBVFNRSBHZPC-UHFFFAOYSA-N
MW272.22 g/mol
LogP-1.45
Rot. Bonds4

About 5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid

5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid (PubChem CID 70630294) has the molecular formula C9H12N4O6 and a molecular weight of 272.22 g/mol. Its IUPAC name is 5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid.

Molecular Properties

Compound Name5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid
PubChem CID70630294
Molecular FormulaC9H12N4O6
Molecular Weight272.22 g/mol
Exact Mass272.08
IUPAC Name5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid
SMILESNC(=O)c1cncc(C(=O)NCCO)c1.O=[N+]([O-])O
InChIInChI=1S/C9H11N3O3.HNO3/c10-8(14)6-3-7(5-11-4-6)9(15)12-1-2-13;2-1(3)4/h3-5,13H,1-2H2,(H2,10,14)(H,12,15);(H,2,3,4)
InChIKeyFIOBVFNRSBHZPC-UHFFFAOYSA-N
XLogP-1.45
TPSA168.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide
CID 151969926
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
4-chloro-N-(2-hydroxyethyl)-3,5-dinitrobenzamide
CID 10517565
5-N-(1,3-dihydroxy-2-methylpropan-2-yl)pyridine-3,5-dicarboxamide
CID 150640847
N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
CID 54022575
5-hydroxy-N-[5-[(5-hydroxypyridine-3-carbonyl)amino]pentyl]pyridine-3-carboxamide
CID 3309734
N-(2-hydroxyethyl)pyridine-2-carboxamide;nitric acid
CID 157371793
1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
CID 58035795
3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide
CID 102336709
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane
CID 143571890

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid?
The IUPAC name of 5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid (CID 70630294) is 5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid.
What is the SMILES notation for 5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid?
The canonical SMILES for 5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid is NC(=O)c1cncc(C(=O)NCCO)c1.O=[N+]([O-])O.
What is the InChIKey of 5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid?
The InChIKey is FIOBVFNRSBHZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3.HNO3/c10-8(14)6-3-7(5-11-4-6)9(15)12-1-2-13;2-1(3)4/h3-5,13H,1-2H2,(H2,10,14)(H,12,15);(H,2,3,4).
What are the key properties of 5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid?
5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid has a molecular weight of 272.22 g/mol, XLogP of -1.45, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-hydroxyethyl)pyridine-3,5-dicarboxamide;nitric acid is sourced from PubChem (CID 70630294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).