N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide

C21H19N3O3 — CID 46387034

IUPACN-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide
SMILESCOc1ccccc1Oc1ccc(-c2cccc(C(=O)NC3CC3)c2)nn1
InChIInChI=1S/C21H19N3O3/c1-26-18-7-2-3-8-19(18)27-20-12-11-17(23-24-20)14-5-4-6-15(13-14)21(25)22-16-9-10-16/h2-8,11-13,16H,9-10H2,1H3,(H,22,25)
InChIKeyRUXFHTKXADCHOI-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.84
Rot. Bonds6

About N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide

N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide (PubChem CID 46387034) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide
PubChem CID46387034
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide
SMILESCOc1ccccc1Oc1ccc(-c2cccc(C(=O)NC3CC3)c2)nn1
InChIInChI=1S/C21H19N3O3/c1-26-18-7-2-3-8-19(18)27-20-12-11-17(23-24-20)14-5-4-6-15(13-14)21(25)22-16-9-10-16/h2-8,11-13,16H,9-10H2,1H3,(H,22,25)
InChIKeyRUXFHTKXADCHOI-UHFFFAOYSA-N
XLogP3.84
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide
CID 46387049
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882471
N-cyclopentyl-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386556
2-methoxy-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134803210
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134803358
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 46387069
3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134800906
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-2-methylbenzamide
CID 134801985
2-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134800868
3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118773753
N-cyclopropyl-3-methoxybenzamide
CID 900156
3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanoic acid
CID 22317204

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide (CID 46387034) is N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide is COc1ccccc1Oc1ccc(-c2cccc(C(=O)NC3CC3)c2)nn1.
What is the InChIKey of N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide?
The InChIKey is RUXFHTKXADCHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-26-18-7-2-3-8-19(18)27-20-12-11-17(23-24-20)14-5-4-6-15(13-14)21(25)22-16-9-10-16/h2-8,11-13,16H,9-10H2,1H3,(H,22,25).
What are the key properties of N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide?
N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide has a molecular weight of 361.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide is sourced from PubChem (CID 46387034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).