N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide

C18H17N5O — CID 113046442

IUPACN-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(NC(=O)c3cccnc3)nn2)c1
InChIInChI=1S/C18H17N5O/c1-12-8-13(2)10-15(9-12)20-16-5-6-17(23-22-16)21-18(24)14-4-3-7-19-11-14/h3-11H,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyXTOURULYNVUMTG-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.48
Rot. Bonds4

About N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide

N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide (PubChem CID 113046442) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
PubChem CID113046442
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(NC(=O)c3cccnc3)nn2)c1
InChIInChI=1S/C18H17N5O/c1-12-8-13(2)10-15(9-12)20-16-5-6-17(23-22-16)21-18(24)14-4-3-7-19-11-14/h3-11H,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyXTOURULYNVUMTG-UHFFFAOYSA-N
XLogP3.48
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-chloro-4,6-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113047878
N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113047284
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977
N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113037962
N-[5-(3-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031450
N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031564
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113046423
N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113051134
N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113036060
N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 106491097
3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide
CID 113045730

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide (CID 113046442) is N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide is Cc1cc(C)cc(Nc2ccc(NC(=O)c3cccnc3)nn2)c1.
What is the InChIKey of N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide?
The InChIKey is XTOURULYNVUMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-8-13(2)10-15(9-12)20-16-5-6-17(23-22-16)21-18(24)14-4-3-7-19-11-14/h3-11H,1-2H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide?
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 113046442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).