3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide

C12H16N2O4 — CID 18681928

IUPAC3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC2COC(C)C2)c1O
InChIInChI=1S/C12H16N2O4/c1-7-5-8(6-18-7)14-12(16)10-11(15)9(17-2)3-4-13-10/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyVMVBDVXMQXXUQF-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.70
Rot. Bonds3

About 3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide

3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide (PubChem CID 18681928) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide
PubChem CID18681928
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC2COC(C)C2)c1O
InChIInChI=1S/C12H16N2O4/c1-7-5-8(6-18-7)14-12(16)10-11(15)9(17-2)3-4-13-10/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyVMVBDVXMQXXUQF-UHFFFAOYSA-N
XLogP0.70
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088893
N-cyclohexyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088897
N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 18682229
3-hydroxy-4-methoxy-N-(2-phenylcyclopropyl)pyridine-2-carboxamide
CID 142649107
3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide
CID 18681920
3-hydroxy-4-methoxy-N-(3-methyl-6,9-dioxo-1,5-dioxonan-7-yl)pyridine-2-carboxamide
CID 18681895
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
[4-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,2,6,6-tetramethylcyclohexyl] 3-methylbutanoate
CID 18681983
3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol
CID 145346550
[2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate
CID 20821364
3-hydroxy-4-methoxy-N-[(2S)-3-oxobutan-2-yl]pyridine-2-carboxamide
CID 163574923
3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;methyl 3-hydroxypropanoate
CID 145346574

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide (CID 18681928) is 3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide is COc1ccnc(C(=O)NC2COC(C)C2)c1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide?
The InChIKey is VMVBDVXMQXXUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7-5-8(6-18-7)14-12(16)10-11(15)9(17-2)3-4-13-10/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide?
3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 18681928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).