6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide

C21H22N4O — CID 109117833

IUPAC6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCc2ccccc2)nn1)c1cccc(C)c1
InChIInChI=1S/C21H22N4O/c1-3-25(18-11-7-8-16(2)14-18)21(26)19-12-13-20(24-23-19)22-15-17-9-5-4-6-10-17/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeyRWWFQOVFWOYFGW-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.06
Rot. Bonds6

About 6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide

6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide (PubChem CID 109117833) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
PubChem CID109117833
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCc2ccccc2)nn1)c1cccc(C)c1
InChIInChI=1S/C21H22N4O/c1-3-25(18-11-7-8-16(2)14-18)21(26)19-12-13-20(24-23-19)22-15-17-9-5-4-6-10-17/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeyRWWFQOVFWOYFGW-UHFFFAOYSA-N
XLogP4.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109119843
N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118810
N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118261
6-amino-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 55041795
N-ethyl-6-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109122262
N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347136
N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118471
N-ethyl-6-(furan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
CID 109117424
N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327878
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371076
6-(2,4-dimethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109129690
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118463

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide (CID 109117833) is 6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide is CCN(C(=O)c1ccc(NCc2ccccc2)nn1)c1cccc(C)c1.
What is the InChIKey of 6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is RWWFQOVFWOYFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-25(18-11-7-8-16(2)14-18)21(26)19-12-13-20(24-23-19)22-15-17-9-5-4-6-10-17/h4-14H,3,15H2,1-2H3,(H,22,24).
What are the key properties of 6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide?
6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109117833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).