N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide

C17H20N4O4 — CID 109114560

IUPACN-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCOCC3)nn2)cc1OC
InChIInChI=1S/C17H20N4O4/c1-23-14-5-3-12(11-15(14)24-2)18-17(22)13-4-6-16(20-19-13)21-7-9-25-10-8-21/h3-6,11H,7-10H2,1-2H3,(H,18,22)
InChIKeyRYXUNLXNSXZWTR-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.58
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide

N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide (PubChem CID 109114560) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
PubChem CID109114560
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCOCC3)nn2)cc1OC
InChIInChI=1S/C17H20N4O4/c1-23-14-5-3-12(11-15(14)24-2)18-17(22)13-4-6-16(20-19-13)21-7-9-25-10-8-21/h3-6,11H,7-10H2,1-2H3,(H,18,22)
InChIKeyRYXUNLXNSXZWTR-UHFFFAOYSA-N
XLogP1.58
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573864
N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
N-(4-carbamoylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028121
6-piperidin-1-yl-N-(3,4,5-trimethoxyphenyl)pyridazine-3-carboxamide
CID 109112601
N-(2-methoxy-4-nitrophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028198
N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114572
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608
N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184851
N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027738
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide (CID 109114560) is N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(N3CCOCC3)nn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide?
The InChIKey is RYXUNLXNSXZWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-23-14-5-3-12(11-15(14)24-2)18-17(22)13-4-6-16(20-19-13)21-7-9-25-10-8-21/h3-6,11H,7-10H2,1-2H3,(H,18,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109114560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).