N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C26H24N4O5 — CID 43069812

IUPACN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1OCc1cccnc1
InChIInChI=1S/C26H24N4O5/c1-33-23-11-9-20(16-24(23)35-18-19-6-5-13-27-17-19)28-26(32)22-10-12-25(31)30(29-22)14-15-34-21-7-3-2-4-8-21/h2-13,16-17H,14-15,18H2,1H3,(H,28,32)
InChIKeyRYWJNNUMXXXINB-UHFFFAOYSA-N
MW472.50 g/mol
LogP3.56
Rot. Bonds10

About N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 43069812) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID43069812
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1OCc1cccnc1
InChIInChI=1S/C26H24N4O5/c1-33-23-11-9-20(16-24(23)35-18-19-6-5-13-27-17-19)28-26(32)22-10-12-25(31)30(29-22)14-15-34-21-7-3-2-4-8-21/h2-13,16-17H,14-15,18H2,1H3,(H,28,32)
InChIKeyRYWJNNUMXXXINB-UHFFFAOYSA-N
XLogP3.56
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55956780
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43069771
N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26012508
N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55532981
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 38628144
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43069786
ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55672143
2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 55643410
N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55855876
6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 17490743
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 38627107

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 43069812) is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1OCc1cccnc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is RYWJNNUMXXXINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-33-23-11-9-20(16-24(23)35-18-19-6-5-13-27-17-19)28-26(32)22-10-12-25(31)30(29-22)14-15-34-21-7-3-2-4-8-21/h2-13,16-17H,14-15,18H2,1H3,(H,28,32).
What are the key properties of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 43069812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).