6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide

C22H22N4O3 — CID 109122555

IUPAC6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Nc3cccc(C(C)=O)c3)nn2)cc1
InChIInChI=1S/C22H22N4O3/c1-15(27)17-4-3-5-18(14-17)24-21-11-10-20(25-26-21)22(28)23-13-12-16-6-8-19(29-2)9-7-16/h3-11,14H,12-13H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyGSWXUQBHSMFAFN-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.40
Rot. Bonds8

About 6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide

6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 109122555) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
PubChem CID109122555
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Nc3cccc(C(C)=O)c3)nn2)cc1
InChIInChI=1S/C22H22N4O3/c1-15(27)17-4-3-5-18(14-17)24-21-11-10-20(25-26-21)22(28)23-13-12-16-6-8-19(29-2)9-7-16/h3-11,14H,12-13H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyGSWXUQBHSMFAFN-UHFFFAOYSA-N
XLogP3.40
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192774
N-[2-(4-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109122527
N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109122525
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide
CID 117092507
6-(4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122416
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120311
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109122514
N-[2-(4-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705227
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-3-ylamino)benzamide
CID 117087950
6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122307
6-(3-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109352397

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide (CID 109122555) is 6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(Nc3cccc(C(C)=O)c3)nn2)cc1.
What is the InChIKey of 6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is GSWXUQBHSMFAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15(27)17-4-3-5-18(14-17)24-21-11-10-20(25-26-21)22(28)23-13-12-16-6-8-19(29-2)9-7-16/h3-11,14H,12-13H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of 6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109122555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).