6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide

C22H24N4O2 — CID 109118946

IUPAC6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N(C)Cc3ccccc3)nn2)cc1
InChIInChI=1S/C22H24N4O2/c1-26(16-18-6-4-3-5-7-18)21-13-12-20(24-25-21)22(27)23-15-14-17-8-10-19(28-2)11-9-17/h3-13H,14-16H2,1-2H3,(H,23,27)
InChIKeyLNVDMDNDWSANMT-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.09
Rot. Bonds8

About 6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide

6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 109118946) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
PubChem CID109118946
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(N(C)Cc3ccccc3)nn2)cc1
InChIInChI=1S/C22H24N4O2/c1-26(16-18-6-4-3-5-7-18)21-13-12-20(24-25-21)22(27)23-15-14-17-8-10-19(28-2)11-9-17/h3-13H,14-16H2,1-2H3,(H,23,27)
InChIKeyLNVDMDNDWSANMT-UHFFFAOYSA-N
XLogP3.09
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109118961
N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122510
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-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109123397
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121641
6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119015
6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109118931
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109122525
N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351495
6-[benzyl(ethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109157538

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide (CID 109118946) is 6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(N(C)Cc3ccccc3)nn2)cc1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is LNVDMDNDWSANMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26(16-18-6-4-3-5-7-18)21-13-12-20(24-25-21)22(27)23-15-14-17-8-10-19(28-2)11-9-17/h3-13H,14-16H2,1-2H3,(H,23,27).
What are the key properties of 6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide?
6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109118946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).