4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide

C17H14ClN5O — CID 113041999

IUPAC4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCc2ccccn2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5O/c18-13-6-4-12(5-7-13)17(24)21-16-9-8-15(22-23-16)20-11-14-3-1-2-10-19-14/h1-10H,11H2,(H,20,22)(H,21,23,24)
InChIKeyWAWBHPRRNRXDBL-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.39
Rot. Bonds5

About 4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide

4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide (PubChem CID 113041999) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide
PubChem CID113041999
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCc2ccccn2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5O/c18-13-6-4-12(5-7-13)17(24)21-16-9-8-15(22-23-16)20-11-14-3-1-2-10-19-14/h1-10H,11H2,(H,20,22)(H,21,23,24)
InChIKeyWAWBHPRRNRXDBL-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113042002
N-(3,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120782
N-(2,4-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120780
N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109157669
2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
CID 113041994
2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
CID 113042022
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]pentanamide
CID 113041958
N-(4-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283138
6-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)pyridazin-3-amine
CID 27373507
4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027652
N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120714
3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027675

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide (CID 113041999) is 4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide is O=C(Nc1ccc(NCc2ccccn2)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide?
The InChIKey is WAWBHPRRNRXDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-13-6-4-12(5-7-13)17(24)21-16-9-8-15(22-23-16)20-11-14-3-1-2-10-19-14/h1-10H,11H2,(H,20,22)(H,21,23,24).
What are the key properties of 4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide?
4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide has a molecular weight of 339.79 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113041999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).