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

C21H22N4O2 — CID 109128038

IUPACN-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(N(CC)c3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-3-25(17-8-6-5-7-9-17)20-15-14-19(23-24-20)21(26)22-16-10-12-18(13-11-16)27-4-2/h5-15H,3-4H2,1-2H3,(H,22,26)
InChIKeyPBODDHFWKGEAOT-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.29
Rot. Bonds7

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

N-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide (PubChem CID 109128038) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide
PubChem CID109128038
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(N(CC)c3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-3-25(17-8-6-5-7-9-17)20-15-14-19(23-24-20)21(26)22-16-10-12-18(13-11-16)27-4-2/h5-15H,3-4H2,1-2H3,(H,22,26)
InChIKeyPBODDHFWKGEAOT-UHFFFAOYSA-N
XLogP4.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(N-ethylanilino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109128041
5-(N-ethylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109291797
N-(4-ethoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639683
6-[2-ethoxyethyl(methyl)amino]-N-phenylpyridazine-3-carboxamide
CID 133445922
6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133384179
5-(N-ethylanilino)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109198416
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357416
6-(N-ethylanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849476
6-[(4-ethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427210
N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357453
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide (CID 109128038) is N-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide is CCOc1ccc(NC(=O)c2ccc(N(CC)c3ccccc3)nn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide?
The InChIKey is PBODDHFWKGEAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-25(17-8-6-5-7-9-17)20-15-14-19(23-24-20)21(26)22-16-10-12-18(13-11-16)27-4-2/h5-15H,3-4H2,1-2H3,(H,22,26).
What are the key properties of N-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide?
N-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).