N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide

C19H19N5O3 — CID 109121317

IUPACN-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCc3ccncc3)nn2)c(OC)c1
InChIInChI=1S/C19H19N5O3/c1-26-14-3-4-15(17(11-14)27-2)22-19(25)16-5-6-18(24-23-16)21-12-13-7-9-20-10-8-13/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyAFHLCSAYJPCBLD-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.75
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide

N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109121317) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109121317
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCc3ccncc3)nn2)c(OC)c1
InChIInChI=1S/C19H19N5O3/c1-26-14-3-4-15(17(11-14)27-2)22-19(25)16-5-6-18(24-23-16)21-12-13-7-9-20-10-8-13/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyAFHLCSAYJPCBLD-UHFFFAOYSA-N
XLogP2.75
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121032
N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120232
N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120227
6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109117826
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129247
6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109128741
3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055230
N-(3-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120235
N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283445
N-(2,4-dimethoxyphenyl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188808
6-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129699
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide (CID 109121317) is N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(NCc3ccncc3)nn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is AFHLCSAYJPCBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-26-14-3-4-15(17(11-14)27-2)22-19(25)16-5-6-18(24-23-16)21-12-13-7-9-20-10-8-13/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109121317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).