N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide

C22H22N4O2 — CID 109112427

IUPACN-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(Nc2ccccc2Oc2ccccc2)nn1
InChIInChI=1S/C22H22N4O2/c27-22(23-16-8-4-5-9-16)19-14-15-21(26-25-19)24-18-12-6-7-13-20(18)28-17-10-2-1-3-11-17/h1-3,6-7,10-16H,4-5,8-9H2,(H,23,27)(H,24,26)
InChIKeyOPSDXCFIEXIZFP-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.68
Rot. Bonds6

About N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide

N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide (PubChem CID 109112427) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide
PubChem CID109112427
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(Nc2ccccc2Oc2ccccc2)nn1
InChIInChI=1S/C22H22N4O2/c27-22(23-16-8-4-5-9-16)19-14-15-21(26-25-19)24-18-12-6-7-13-20(18)28-17-10-2-1-3-11-17/h1-3,6-7,10-16H,4-5,8-9H2,(H,23,27)(H,24,26)
InChIKeyOPSDXCFIEXIZFP-UHFFFAOYSA-N
XLogP4.68
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408
N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide
CID 109250437
N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109115485
N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109111323
N-cyclopentyl-6-(2-morpholin-4-ylanilino)pyridazine-3-carboxamide
CID 109112411
N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109125066
N-cyclohexyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109113119
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113050613
ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109123792
N-cyclohexyl-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
CID 109113061
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide (CID 109112427) is N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide is O=C(NC1CCCC1)c1ccc(Nc2ccccc2Oc2ccccc2)nn1.
What is the InChIKey of N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide?
The InChIKey is OPSDXCFIEXIZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-22(23-16-8-4-5-9-16)19-14-15-21(26-25-19)24-18-12-6-7-13-20(18)28-17-10-2-1-3-11-17/h1-3,6-7,10-16H,4-5,8-9H2,(H,23,27)(H,24,26).
What are the key properties of N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide?
N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109112427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).