N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane

C12H19N3O3 — CID 143571890

IUPACN-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane
SMILESCC.CC(=O)NCCNC(=O)c1cncc(O)c1
InChIInChI=1S/C10H13N3O3.C2H6/c1-7(14)12-2-3-13-10(16)8-4-9(15)6-11-5-8;1-2/h4-6,15H,2-3H2,1H3,(H,12,14)(H,13,16);1-2H3
InChIKeyQBIPGFSLTBBMOD-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.68
Rot. Bonds4

About N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane

N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane (PubChem CID 143571890) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane
PubChem CID143571890
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane
SMILESCC.CC(=O)NCCNC(=O)c1cncc(O)c1
InChIInChI=1S/C10H13N3O3.C2H6/c1-7(14)12-2-3-13-10(16)8-4-9(15)6-11-5-8;1-2/h4-6,15H,2-3H2,1H3,(H,12,14)(H,13,16);1-2H3
InChIKeyQBIPGFSLTBBMOD-UHFFFAOYSA-N
XLogP0.68
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-N-[5-[(5-hydroxypyridine-3-carbonyl)amino]pentyl]pyridine-3-carboxamide
CID 3309734
5-hydroxy-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 63865493
5-hydroxy-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 63866364
N-(2-ethylsulfinylethyl)-5-hydroxypyridine-3-carboxamide
CID 115633331
N-(2,2-dimethylpropyl)-5-hydroxypyridine-3-carboxamide
CID 63866542
2-[(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 770223
5-hydroxy-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63860872
N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide
CID 115306498
5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide
CID 131912295
N-(2-cyclopentylethyl)-5-hydroxypyridine-3-carboxamide
CID 63866200
5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 63859816
5-hydroxy-N-[2-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 78953956

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane?
The IUPAC name of N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane (CID 143571890) is N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane.
What is the SMILES notation for N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane?
The canonical SMILES for N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane is CC.CC(=O)NCCNC(=O)c1cncc(O)c1.
What is the InChIKey of N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane?
The InChIKey is QBIPGFSLTBBMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3.C2H6/c1-7(14)12-2-3-13-10(16)8-4-9(15)6-11-5-8;1-2/h4-6,15H,2-3H2,1H3,(H,12,14)(H,13,16);1-2H3.
What are the key properties of N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane?
N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane has a molecular weight of 253.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane is sourced from PubChem (CID 143571890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).