6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

C18H17N5O — CID 109120843

IUPAC6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCc3ccccn3)nn2)cc1
InChIInChI=1S/C18H17N5O/c1-13-5-7-14(8-6-13)21-17-10-9-16(22-23-17)18(24)20-12-15-4-2-3-11-19-15/h2-11H,12H2,1H3,(H,20,24)(H,21,23)
InChIKeyUADSCBRSAYFMJO-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.85
Rot. Bonds5

About 6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109120843) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID109120843
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCc3ccccn3)nn2)cc1
InChIInChI=1S/C18H17N5O/c1-13-5-7-14(8-6-13)21-17-10-9-16(22-23-17)18(24)20-12-15-4-2-3-11-19-15/h2-11H,12H2,1H3,(H,20,24)(H,21,23)
InChIKeyUADSCBRSAYFMJO-UHFFFAOYSA-N
XLogP2.85
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120863
6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120841
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120853
6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120909
N-[(2-fluorophenyl)methyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109119336
6-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120862
N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109120891
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697
5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190929
6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118657
6-(4-methylanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127010
5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190978

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (CID 109120843) is 6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is Cc1ccc(Nc2ccc(C(=O)NCc3ccccn3)nn2)cc1.
What is the InChIKey of 6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is UADSCBRSAYFMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13-5-7-14(8-6-13)21-17-10-9-16(22-23-17)18(24)20-12-15-4-2-3-11-19-15/h2-11H,12H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109120843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).