6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide

C21H22N4O2 — CID 133384179

IUPAC6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)c1ccc(C(=O)Nc2ccccc2)nn1
InChIInChI=1S/C21H22N4O2/c1-3-25(15-16-9-11-18(27-2)12-10-16)20-14-13-19(23-24-20)21(26)22-17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3,(H,22,26)
InChIKeyJYTPHPDJPCJXSK-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.76
Rot. Bonds7

About 6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide

6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide (PubChem CID 133384179) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
PubChem CID133384179
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)c1ccc(C(=O)Nc2ccccc2)nn1
InChIInChI=1S/C21H22N4O2/c1-3-25(15-16-9-11-18(27-2)12-10-16)20-14-13-19(23-24-20)21(26)22-17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3,(H,22,26)
InChIKeyJYTPHPDJPCJXSK-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[benzyl(ethyl)amino]-N-(3-chlorophenyl)pyridazine-3-carboxamide
CID 109120537
6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114288
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113012596
2-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109171593
5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109282890
6-(diethylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124336
6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide
CID 109120520
6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid
CID 122054452
6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109118946
N-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide
CID 109128038
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113012586

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide (CID 133384179) is 6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide is CCN(Cc1ccc(OC)cc1)c1ccc(C(=O)Nc2ccccc2)nn1.
What is the InChIKey of 6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is JYTPHPDJPCJXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-25(15-16-9-11-18(27-2)12-10-16)20-14-13-19(23-24-20)21(26)22-17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3,(H,22,26).
What are the key properties of 6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide?
6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133384179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).