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

C19H14ClN5O — CID 109119717

IUPAC6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)nn2)cc1
InChIInChI=1S/C19H14ClN5O/c20-16-4-2-1-3-14(16)12-22-18-10-9-17(24-25-18)19(26)23-15-7-5-13(11-21)6-8-15/h1-10H,12H2,(H,22,25)(H,23,26)
InChIKeyLSBYIJFBOVXYRF-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.87
Rot. Bonds5

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

6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide (PubChem CID 109119717) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide
PubChem CID109119717
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)nn2)cc1
InChIInChI=1S/C19H14ClN5O/c20-16-4-2-1-3-14(16)12-22-18-10-9-17(24-25-18)19(26)23-15-7-5-13(11-21)6-8-15/h1-10H,12H2,(H,22,25)(H,23,26)
InChIKeyLSBYIJFBOVXYRF-UHFFFAOYSA-N
XLogP3.87
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119692
6-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119678
N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122261
N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110375
5-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109233968
6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110410
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670
1-N-[(2-chlorophenyl)methyl]-4-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109047331
6-[(2-chlorophenyl)methylamino]-N-propylpyridazine-3-carboxamide
CID 109109231
N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118063
N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115946
6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109117831

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide (CID 109119717) is 6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide is N#Cc1ccc(NC(=O)c2ccc(NCc3ccccc3Cl)nn2)cc1.
What is the InChIKey of 6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide?
The InChIKey is LSBYIJFBOVXYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c20-16-4-2-1-3-14(16)12-22-18-10-9-17(24-25-18)19(26)23-15-7-5-13(11-21)6-8-15/h1-10H,12H2,(H,22,25)(H,23,26).
What are the key properties of 6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide?
6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109119717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).