N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide

C22H17N3O2 — CID 70703281

IUPACN-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nn1
InChIInChI=1S/C22H17N3O2/c1-15-6-13-21(25-24-15)27-20-11-9-19(10-12-20)23-22(26)18-8-7-16-4-2-3-5-17(16)14-18/h2-14H,1H3,(H,23,26)
InChIKeyWGNZWUXCJYWHFY-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.98
Rot. Bonds4

About N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide

N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide (PubChem CID 70703281) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide
PubChem CID70703281
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nn1
InChIInChI=1S/C22H17N3O2/c1-15-6-13-21(25-24-15)27-20-11-9-19(10-12-20)23-22(26)18-8-7-16-4-2-3-5-17(16)14-18/h2-14H,1H3,(H,23,26)
InChIKeyWGNZWUXCJYWHFY-UHFFFAOYSA-N
XLogP4.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide
CID 122305024
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-2-carboxamide
CID 122309228
5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid
CID 138043271
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122305588
1-(4-bromophenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
CID 56920749
4-(6-methylpyridazin-3-yl)oxybenzamide
CID 175939264
1-(4-ethylphenyl)-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]urea
CID 56920163
6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide
CID 133313253
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-dimethoxybenzamide
CID 122305386
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide
CID 122305025

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide (CID 70703281) is N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide is Cc1ccc(Oc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nn1.
What is the InChIKey of N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide?
The InChIKey is WGNZWUXCJYWHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-15-6-13-21(25-24-15)27-20-11-9-19(10-12-20)23-22(26)18-8-7-16-4-2-3-5-17(16)14-18/h2-14H,1H3,(H,23,26).
What are the key properties of N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide?
N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 70703281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).