6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

C17H14ClN5O — CID 109121155

IUPAC6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H14ClN5O/c18-13-3-5-14(6-4-13)21-16-8-7-15(22-23-16)17(24)20-11-12-2-1-9-19-10-12/h1-10H,11H2,(H,20,24)(H,21,23)
InChIKeyAGJPXTLDZKNUEG-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.20
Rot. Bonds5

About 6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109121155) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
PubChem CID109121155
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H14ClN5O/c18-13-3-5-14(6-4-13)21-16-8-7-15(22-23-16)17(24)20-11-12-2-1-9-19-10-12/h1-10H,11H2,(H,20,24)(H,21,23)
InChIKeyAGJPXTLDZKNUEG-UHFFFAOYSA-N
XLogP3.20
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121222
6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121189
6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 54927031
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121178
6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121140
N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109119926
N-(3,5-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121070
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121227
methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109121184
5-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191293
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (CID 109121155) is 6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is O=C(NCc1cccnc1)c1ccc(Nc2ccc(Cl)cc2)nn1.
What is the InChIKey of 6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is AGJPXTLDZKNUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-13-3-5-14(6-4-13)21-16-8-7-15(22-23-16)17(24)20-11-12-2-1-9-19-10-12/h1-10H,11H2,(H,20,24)(H,21,23).
What are the key properties of 6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 339.79 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).