N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide

C20H19ClN4O — CID 109119889

IUPACN-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(NCCc2ccccc2)nn1
InChIInChI=1S/C20H19ClN4O/c21-17-8-6-16(7-9-17)14-23-20(26)18-10-11-19(25-24-18)22-13-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,25)(H,23,26)
InChIKeyKPLNUIDSIMZGEY-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.71
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide (PubChem CID 109119889) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
PubChem CID109119889
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(NCCc2ccccc2)nn1
InChIInChI=1S/C20H19ClN4O/c21-17-8-6-16(7-9-17)14-23-20(26)18-10-11-19(25-24-18)22-13-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,25)(H,23,26)
InChIKeyKPLNUIDSIMZGEY-UHFFFAOYSA-N
XLogP3.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109118594
6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109121525
6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111206
6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide
CID 109123350
N-[(4-chlorophenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114103
N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118017
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109120429
6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109110630
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109119413
6-(2-phenylethylamino)pyridazine-3-carboxylic acid
CID 10332018
6-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119292

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide (CID 109119889) is N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc(NCCc2ccccc2)nn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide?
The InChIKey is KPLNUIDSIMZGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-17-8-6-16(7-9-17)14-23-20(26)18-10-11-19(25-24-18)22-13-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,25)(H,23,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109119889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).