3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide

C17H19N3O4 — CID 91790438

IUPAC3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCOc1cncc(C(NC(=O)c2ncccc2O)C2CC(O)C2)c1
InChIInChI=1S/C17H19N3O4/c1-24-13-7-11(8-18-9-13)15(10-5-12(21)6-10)20-17(23)16-14(22)3-2-4-19-16/h2-4,7-10,12,15,21-22H,5-6H2,1H3,(H,20,23)
InChIKeyVBYGLNQAAAQCDK-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.43
Rot. Bonds5

About 3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide

3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 91790438) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID91790438
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCOc1cncc(C(NC(=O)c2ncccc2O)C2CC(O)C2)c1
InChIInChI=1S/C17H19N3O4/c1-24-13-7-11(8-18-9-13)15(10-5-12(21)6-10)20-17(23)16-14(22)3-2-4-19-16/h2-4,7-10,12,15,21-22H,5-6H2,1H3,(H,20,23)
InChIKeyVBYGLNQAAAQCDK-UHFFFAOYSA-N
XLogP1.43
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 91775243
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 91788000
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 91787528
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-methoxyacetamide
CID 91783772
2-ethyl-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 91764734
3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide
CID 91794083
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 91765223
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 91772492
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 91796938
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide
CID 91778211
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 54861340
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 91784748

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide (CID 91790438) is 3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide is COc1cncc(C(NC(=O)c2ncccc2O)C2CC(O)C2)c1.
What is the InChIKey of 3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is VBYGLNQAAAQCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-24-13-7-11(8-18-9-13)15(10-5-12(21)6-10)20-17(23)16-14(22)3-2-4-19-16/h2-4,7-10,12,15,21-22H,5-6H2,1H3,(H,20,23).
What are the key properties of 3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide?
3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 91790438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).