N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide

C21H22N4O2 — CID 109127965

IUPACN-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(Nc2ccc(CC)cc2)nn1
InChIInChI=1S/C21H22N4O2/c1-3-15-9-11-16(12-10-15)22-20-14-13-18(24-25-20)21(26)23-17-7-5-6-8-19(17)27-4-2/h5-14H,3-4H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMHBWQRBNCHIHDQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.43
Rot. Bonds7

About N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide

N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide (PubChem CID 109127965) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
PubChem CID109127965
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(Nc2ccc(CC)cc2)nn1
InChIInChI=1S/C21H22N4O2/c1-3-15-9-11-16(12-10-15)22-20-14-13-18(24-25-20)21(26)23-17-7-5-6-8-19(17)27-4-2/h5-14H,3-4H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMHBWQRBNCHIHDQ-UHFFFAOYSA-N
XLogP4.43
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127901
6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657
6-(2-ethoxyanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127101
6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109117781
6-(4-ethoxyanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128416
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide
CID 109129455
N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129475
methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128007
6-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109129462
ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127983
6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 109127942
methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109293673

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide (CID 109127965) is N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide is CCOc1ccccc1NC(=O)c1ccc(Nc2ccc(CC)cc2)nn1.
What is the InChIKey of N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide?
The InChIKey is MHBWQRBNCHIHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-15-9-11-16(12-10-15)22-20-14-13-18(24-25-20)21(26)23-17-7-5-6-8-19(17)27-4-2/h5-14H,3-4H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide?
N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109127965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).