N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide

C22H22N4O3 — CID 113050613

IUPACN-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2Oc2ccccc2)nn1)C1CCOCC1
InChIInChI=1S/C22H22N4O3/c27-22(16-12-14-28-15-13-16)24-21-11-10-20(25-26-21)23-18-8-4-5-9-19(18)29-17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,23,25)(H,24,26,27)
InChIKeyPVHGSIXJWAPJRY-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.38
Rot. Bonds6

About N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide

N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide (PubChem CID 113050613) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide
PubChem CID113050613
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2Oc2ccccc2)nn1)C1CCOCC1
InChIInChI=1S/C22H22N4O3/c27-22(16-12-14-28-15-13-16)24-21-11-10-20(25-26-21)23-18-8-4-5-9-19(18)29-17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,23,25)(H,24,26,27)
InChIKeyPVHGSIXJWAPJRY-UHFFFAOYSA-N
XLogP4.38
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113046674
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113048614
N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109112427
N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113036541
6-chloro-N-(2-phenoxyphenyl)pyridazin-3-amine
CID 43329642
2-[2-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 63745167
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048618
N-(2-methylpropyl)-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109111323
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113020060
1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 31821899
N-[2-oxo-2-(2-phenoxyanilino)ethyl]cyclopropanecarboxamide
CID 42697207
N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113049774

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide (CID 113050613) is N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide is O=C(Nc1ccc(Nc2ccccc2Oc2ccccc2)nn1)C1CCOCC1.
What is the InChIKey of N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide?
The InChIKey is PVHGSIXJWAPJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-22(16-12-14-28-15-13-16)24-21-11-10-20(25-26-21)23-18-8-4-5-9-19(18)29-17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H,23,25)(H,24,26,27).
What are the key properties of N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide?
N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 113050613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).