4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide

C21H20ClN5O3 — CID 133444206

IUPAC4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)ccn1
InChIInChI=1S/C21H20ClN5O3/c22-19-18(13-25-27(21(19)29)14-4-2-1-3-5-14)26-10-7-15(8-11-26)30-16-6-9-24-17(12-16)20(23)28/h1-6,9,12-13,15H,7-8,10-11H2,(H2,23,28)
InChIKeyISZONBREZBPFAS-UHFFFAOYSA-N
MW425.88 g/mol
LogP2.43
Rot. Bonds5

About 4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide

4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide (PubChem CID 133444206) has the molecular formula C21H20ClN5O3 and a molecular weight of 425.88 g/mol. Its IUPAC name is 4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
PubChem CID133444206
Molecular FormulaC21H20ClN5O3
Molecular Weight425.88 g/mol
Exact Mass425.13
IUPAC Name4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)ccn1
InChIInChI=1S/C21H20ClN5O3/c22-19-18(13-25-27(21(19)29)14-4-2-1-3-5-14)26-10-7-15(8-11-26)30-16-6-9-24-17(12-16)20(23)28/h1-6,9,12-13,15H,7-8,10-11H2,(H2,23,28)
InChIKeyISZONBREZBPFAS-UHFFFAOYSA-N
XLogP2.43
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
CID 133271354
ethyl 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidine-4-carboxylate
CID 9280161
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 9206668
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide
CID 9445658
4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one
CID 46529673
4-chloro-2-phenyl-5-(3-prop-2-enoxypyrrolidin-1-yl)pyridazin-3-one
CID 133465286
4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 75509918
4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444215
4-chloro-2-phenyl-5-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 119270199
4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one
CID 133453106
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317828
4-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133438789

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide (CID 133444206) is 4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide is NC(=O)c1cc(OC2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)ccn1.
What is the InChIKey of 4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide?
The InChIKey is ISZONBREZBPFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3/c22-19-18(13-25-27(21(19)29)14-4-2-1-3-5-14)26-10-7-15(8-11-26)30-16-6-9-24-17(12-16)20(23)28/h1-6,9,12-13,15H,7-8,10-11H2,(H2,23,28).
What are the key properties of 4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide?
4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide has a molecular weight of 425.88 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 133444206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).