N-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide

C20H19N3O2 — CID 113200474

IUPACN-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)nn1
InChIInChI=1S/C20H19N3O2/c1-14(2)18-12-13-19(23-22-18)20(24)21-15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,21,24)
InChIKeyJTCXYVHTUBZQOG-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.64
Rot. Bonds5

About N-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide

N-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide (PubChem CID 113200474) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide
PubChem CID113200474
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)nn1
InChIInChI=1S/C20H19N3O2/c1-14(2)18-12-13-19(23-22-18)20(24)21-15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,21,24)
InChIKeyJTCXYVHTUBZQOG-UHFFFAOYSA-N
XLogP4.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide
CID 133313253
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842
N-(4-phenoxyphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201642
5-(2-methoxyethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184158
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 113200454
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109130085
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184521
5-(cyclopropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109180189
6-(N-ethylanilino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109128041
methyl (2S)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate
CID 5389782

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide (CID 113200474) is N-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide is CC(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)nn1.
What is the InChIKey of N-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is JTCXYVHTUBZQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14(2)18-12-13-19(23-22-18)20(24)21-15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,21,24).
What are the key properties of N-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide?
N-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 113200474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).