6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide

C21H21N5O2 — CID 109121699

IUPAC6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)nn2)cc1
InChIInChI=1S/C21H21N5O2/c1-15(27)23-17-7-9-18(10-8-17)24-20-12-11-19(25-26-20)21(28)22-14-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,28)(H,23,27)(H,24,26)
InChIKeyTUKYVXCSTUKYMY-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.15
Rot. Bonds7

About 6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide

6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide (PubChem CID 109121699) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
PubChem CID109121699
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)nn2)cc1
InChIInChI=1S/C21H21N5O2/c1-15(27)23-17-7-9-18(10-8-17)24-20-12-11-19(25-26-20)21(28)22-14-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,28)(H,23,27)(H,24,26)
InChIKeyTUKYVXCSTUKYMY-UHFFFAOYSA-N
XLogP3.15
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121704
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121707
N-(2-phenylethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121694
6-(4-acetamidoanilino)pyridazine-3-carboxylic acid
CID 60791814
6-anilino-N-butylpyridazine-3-carboxamide
CID 109110857
N-[2-(4-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109122527
6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657
6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353616
6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 109127942
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide (CID 109121699) is 6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide is CC(=O)Nc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)nn2)cc1.
What is the InChIKey of 6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is TUKYVXCSTUKYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-15(27)23-17-7-9-18(10-8-17)24-20-12-11-19(25-26-20)21(28)22-14-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,28)(H,23,27)(H,24,26).
What are the key properties of 6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide?
6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).