N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide

C20H19ClN4O — CID 109123397

IUPACN-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide
SMILESCN(c1ccccc1)c1ccc(C(=O)NCCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C20H19ClN4O/c1-25(17-5-3-2-4-6-17)19-12-11-18(23-24-19)20(26)22-14-13-15-7-9-16(21)10-8-15/h2-12H,13-14H2,1H3,(H,22,26)
InChIKeyQOUNIXYIDDOZQK-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.87
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide (PubChem CID 109123397) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide
PubChem CID109123397
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide
SMILESCN(c1ccccc1)c1ccc(C(=O)NCCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C20H19ClN4O/c1-25(17-5-3-2-4-6-17)19-12-11-18(23-24-19)20(26)22-14-13-15-7-9-16(21)10-8-15/h2-12H,13-14H2,1H3,(H,22,26)
InChIKeyQOUNIXYIDDOZQK-UHFFFAOYSA-N
XLogP3.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285784
6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109118946
5-(N-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283821
6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109118961
N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118017
N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351495
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109127162
6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109110630
6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995
6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109125564
N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide
CID 109119900

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide (CID 109123397) is N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide is CN(c1ccccc1)c1ccc(C(=O)NCCc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide?
The InChIKey is QOUNIXYIDDOZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-25(17-5-3-2-4-6-17)19-12-11-18(23-24-19)20(26)22-14-13-15-7-9-16(21)10-8-15/h2-12H,13-14H2,1H3,(H,22,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109123397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).