5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide

C12H16N2O3 — CID 63860323

IUPAC5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCCO1)c1cncc(O)c1
InChIInChI=1S/C12H16N2O3/c15-10-5-9(6-13-7-10)12(16)14-8-11-3-1-2-4-17-11/h5-7,11,15H,1-4,8H2,(H,14,16)
InChIKeyCOYAIAMGDIZBEK-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.09
Rot. Bonds3

About 5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide

5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 63860323) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID63860323
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCCO1)c1cncc(O)c1
InChIInChI=1S/C12H16N2O3/c15-10-5-9(6-13-7-10)12(16)14-8-11-3-1-2-4-17-11/h5-7,11,15H,1-4,8H2,(H,14,16)
InChIKeyCOYAIAMGDIZBEK-UHFFFAOYSA-N
XLogP1.09
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
N-(cyclopentylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63865672
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
5-(dipropylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228799
5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228896
3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103889
N-(2-cyclopentylethyl)-5-hydroxypyridine-3-carboxamide
CID 63866200
5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228908
5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 93231190
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103917
5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228826

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide (CID 63860323) is 5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCCO1)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is COYAIAMGDIZBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-10-5-9(6-13-7-10)12(16)14-8-11-3-1-2-4-17-11/h5-7,11,15H,1-4,8H2,(H,14,16).
What are the key properties of 5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide?
5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 63860323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).