N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide

C18H16ClN5O — CID 109121014

IUPACN-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(NCc2cccnc2)nn1
InChIInChI=1S/C18H16ClN5O/c1-12-4-5-14(19)9-16(12)22-18(25)15-6-7-17(24-23-15)21-11-13-3-2-8-20-10-13/h2-10H,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyUZMPVDCJIIBACI-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.70
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide

N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109121014) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109121014
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC NameN-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(NCc2cccnc2)nn1
InChIInChI=1S/C18H16ClN5O/c1-12-4-5-14(19)9-16(12)22-18(25)15-6-7-17(24-23-15)21-11-13-3-2-8-20-10-13/h2-10H,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyUZMPVDCJIIBACI-UHFFFAOYSA-N
XLogP3.70
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121056
6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 109121003
N-(3,5-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121070
N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329925
6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109121081
N-(2,4-difluorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121063
N-(2-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121006
N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121053
N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121032
N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109109633
6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 79005962
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371066

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide (CID 109121014) is N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(NCc2cccnc2)nn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is UZMPVDCJIIBACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-12-4-5-14(19)9-16(12)22-18(25)15-6-7-17(24-23-15)21-11-13-3-2-8-20-10-13/h2-10H,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109121014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).