3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide

C11H16N2O4 — CID 103862917

IUPAC3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
SMILESCOCC(CCO)NC(=O)c1ccncc1O
InChIInChI=1S/C11H16N2O4/c1-17-7-8(3-5-14)13-11(16)9-2-4-12-6-10(9)15/h2,4,6,8,14-15H,3,5,7H2,1H3,(H,13,16)
InChIKeyBAOQSXSRLDYXGW-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.09
Rot. Bonds6

About 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide

3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide (PubChem CID 103862917) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
PubChem CID103862917
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
SMILESCOCC(CCO)NC(=O)c1ccncc1O
InChIInChI=1S/C11H16N2O4/c1-17-7-8(3-5-14)13-11(16)9-2-4-12-6-10(9)15/h2,4,6,8,14-15H,3,5,7H2,1H3,(H,13,16)
InChIKeyBAOQSXSRLDYXGW-UHFFFAOYSA-N
XLogP-0.09
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide (CID 103862917) is 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide is COCC(CCO)NC(=O)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide?
The InChIKey is BAOQSXSRLDYXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-17-7-8(3-5-14)13-11(16)9-2-4-12-6-10(9)15/h2,4,6,8,14-15H,3,5,7H2,1H3,(H,13,16).
What are the key properties of 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide?
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 103862917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).