2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide

C13H19N3O6 — CID 12626847

IUPAC2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide
SMILESO=C(NCCO)c1cc(=O)cc(C(=O)NCCO)n1CCO
InChIInChI=1S/C13H19N3O6/c17-4-1-14-12(21)10-7-9(20)8-11(16(10)3-6-19)13(22)15-2-5-18/h7-8,17-19H,1-6H2,(H,14,21)(H,15,22)
InChIKeyVNGDVECECYKASR-UHFFFAOYSA-N
MW313.31 g/mol
LogP-2.72
Rot. Bonds8

About 2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide

2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide (PubChem CID 12626847) has the molecular formula C13H19N3O6 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide
PubChem CID12626847
Molecular FormulaC13H19N3O6
Molecular Weight313.31 g/mol
Exact Mass313.13
IUPAC Name2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide
SMILESO=C(NCCO)c1cc(=O)cc(C(=O)NCCO)n1CCO
InChIInChI=1S/C13H19N3O6/c17-4-1-14-12(21)10-7-9(20)8-11(16(10)3-6-19)13(22)15-2-5-18/h7-8,17-19H,1-6H2,(H,14,21)(H,15,22)
InChIKeyVNGDVECECYKASR-UHFFFAOYSA-N
XLogP-2.72
TPSA140.89 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 5-2.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

N,1-bis(2-hydroxyethyl)-4-oxopyridine-2-carboxamide
CID 139721487
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
2-hydroxy-N-(2-hydroxyethyl)-4,5-dimethoxybenzamide
CID 67742482
1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
CID 58035795
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
3-methyl-N-propyltriazole-4-carboxamide
CID 130733384
4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 106843318
3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide
CID 163353826
N-(2-hydroxyethyl)cyclobutene-1-carboxamide
CID 24802880
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944
3-tert-butyl-N-(3-hydroxypropyl)-1-methylpyrazole-5-carboxamide
CID 78897064

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide (CID 12626847) is 2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide is O=C(NCCO)c1cc(=O)cc(C(=O)NCCO)n1CCO.
What is the InChIKey of 2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide?
The InChIKey is VNGDVECECYKASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O6/c17-4-1-14-12(21)10-7-9(20)8-11(16(10)3-6-19)13(22)15-2-5-18/h7-8,17-19H,1-6H2,(H,14,21)(H,15,22).
What are the key properties of 2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide?
2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide has a molecular weight of 313.31 g/mol, XLogP of -2.72, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N,1-tris(2-hydroxyethyl)-4-oxopyridine-2,6-dicarboxamide is sourced from PubChem (CID 12626847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).