N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide

C22H24N4O2 — CID 109118892

IUPACN-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide
SMILESCC(C)Oc1ccccc1Nc1ccc(C(=O)NC(C)c2ccccc2)nn1
InChIInChI=1S/C22H24N4O2/c1-15(2)28-20-12-8-7-11-18(20)24-21-14-13-19(25-26-21)22(27)23-16(3)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,23,27)(H,24,26)
InChIKeyUQWBHUAZSKICIM-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.50
Rot. Bonds7

About N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide

N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide (PubChem CID 109118892) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide
PubChem CID109118892
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide
SMILESCC(C)Oc1ccccc1Nc1ccc(C(=O)NC(C)c2ccccc2)nn1
InChIInChI=1S/C22H24N4O2/c1-15(2)28-20-12-8-7-11-18(20)24-21-14-13-19(25-26-21)22(27)23-16(3)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,23,27)(H,24,26)
InChIKeyUQWBHUAZSKICIM-UHFFFAOYSA-N
XLogP4.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048623
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015
6-(2,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129616
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129623
N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129615
4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048626
6-(cyclopentylamino)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109112098
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113048614
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide
CID 113048612
N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109111323
6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid
CID 82488459
N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109287277

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide (CID 109118892) is N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide is CC(C)Oc1ccccc1Nc1ccc(C(=O)NC(C)c2ccccc2)nn1.
What is the InChIKey of N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide?
The InChIKey is UQWBHUAZSKICIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(2)28-20-12-8-7-11-18(20)24-21-14-13-19(25-26-21)22(27)23-16(3)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide?
N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109118892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).