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

C21H21ClN4O — CID 109118017

IUPACN-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1ccccc1CNc1ccc(C(=O)NCCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C21H21ClN4O/c1-15-4-2-3-5-17(15)14-24-20-11-10-19(25-26-20)21(27)23-13-12-16-6-8-18(22)9-7-16/h2-11H,12-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyNLEJKGVGIQPXLR-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.02
Rot. Bonds7

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

N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109118017) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109118017
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1ccccc1CNc1ccc(C(=O)NCCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C21H21ClN4O/c1-15-4-2-3-5-17(15)14-24-20-11-10-19(25-26-20)21(27)23-13-12-16-6-8-18(22)9-7-16/h2-11H,12-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyNLEJKGVGIQPXLR-UHFFFAOYSA-N
XLogP4.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995
N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109110791
6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109110630
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
6-(ethylamino)-N-[2-(2-methylphenyl)ethyl]pyridazine-3-carboxamide
CID 79756979
N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255694
6-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119292
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118016
6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide
CID 109123350
N-[2-(4-fluorophenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188263
6-[(2-chlorophenyl)methylamino]-N-propylpyridazine-3-carboxamide
CID 109109231
N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118063

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide (CID 109118017) is N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide is Cc1ccccc1CNc1ccc(C(=O)NCCc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is NLEJKGVGIQPXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-15-4-2-3-5-17(15)14-24-20-11-10-19(25-26-20)21(27)23-13-12-16-6-8-18(22)9-7-16/h2-11H,12-14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109118017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).