N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

C17H18N4O5 — CID 108555061

IUPACN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H18N4O5/c22-12-7-10(8-13(23)9-12)17(26)21-5-3-11(4-6-21)18-16(25)14-1-2-15(24)20-19-14/h1-2,7-9,11,22-23H,3-6H2,(H,18,25)(H,20,24)
InChIKeyGDKNZPMCNVDXRC-UHFFFAOYSA-N
MW358.35 g/mol
LogP0.22
Rot. Bonds3

About N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 108555061) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID108555061
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC NameN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H18N4O5/c22-12-7-10(8-13(23)9-12)17(26)21-5-3-11(4-6-21)18-16(25)14-1-2-15(24)20-19-14/h1-2,7-9,11,22-23H,3-6H2,(H,18,25)(H,20,24)
InChIKeyGDKNZPMCNVDXRC-UHFFFAOYSA-N
XLogP0.22
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110820443
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554976
4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 32506646
N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554971
4-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 108550523
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557881
N-[1-(2-chloropropanoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561735
6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 110745882
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551443
5-bromo-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551744
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638
[3-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548550

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 108555061) is N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is GDKNZPMCNVDXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c22-12-7-10(8-13(23)9-12)17(26)21-5-3-11(4-6-21)18-16(25)14-1-2-15(24)20-19-14/h1-2,7-9,11,22-23H,3-6H2,(H,18,25)(H,20,24).
What are the key properties of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 0.22, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108555061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).