N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide

C25H19N5O2 — CID 122305024

IUPACN-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide
SMILESCc1ccn(-c2ccc(Oc3ccc(NC(=O)c4ccc5ccccc5c4)cc3)nn2)n1
InChIInChI=1S/C25H19N5O2/c1-17-14-15-30(29-17)23-12-13-24(28-27-23)32-22-10-8-21(9-11-22)26-25(31)20-7-6-18-4-2-3-5-19(18)16-20/h2-16H,1H3,(H,26,31)
InChIKeyZHLJNROTSXPGRO-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.17
Rot. Bonds5

About N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide

N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide (PubChem CID 122305024) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide
PubChem CID122305024
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC NameN-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide
SMILESCc1ccn(-c2ccc(Oc3ccc(NC(=O)c4ccc5ccccc5c4)cc3)nn2)n1
InChIInChI=1S/C25H19N5O2/c1-17-14-15-30(29-17)23-12-13-24(28-27-23)32-22-10-8-21(9-11-22)26-25(31)20-7-6-18-4-2-3-5-19(18)16-20/h2-16H,1H3,(H,26,31)
InChIKeyZHLJNROTSXPGRO-UHFFFAOYSA-N
XLogP5.17
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide
CID 122305025
4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305003
4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305014
N-[4-(6-methylpyridazin-3-yl)oxyphenyl]naphthalene-2-carboxamide
CID 70703281
2-ethoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-1-carboxamide
CID 122305176
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122305201
4-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122305050
5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide
CID 122305218
2-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305028
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide
CID 122305057
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305087
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122305588

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide (CID 122305024) is N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide is Cc1ccn(-c2ccc(Oc3ccc(NC(=O)c4ccc5ccccc5c4)cc3)nn2)n1.
What is the InChIKey of N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide?
The InChIKey is ZHLJNROTSXPGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c1-17-14-15-30(29-17)23-12-13-24(28-27-23)32-22-10-8-21(9-11-22)26-25(31)20-7-6-18-4-2-3-5-19(18)16-20/h2-16H,1H3,(H,26,31).
What are the key properties of N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide?
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 122305024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).