N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide

C20H17N5O3 — CID 113051223

IUPACN-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cccc(C#N)c3)nn2)cc1OC
InChIInChI=1S/C20H17N5O3/c1-27-16-7-6-14(11-17(16)28-2)20(26)23-19-9-8-18(24-25-19)22-15-5-3-4-13(10-15)12-21/h3-11H,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyGJIVHHDELVIHPF-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.36
Rot. Bonds6

About N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide

N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide (PubChem CID 113051223) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
PubChem CID113051223
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cccc(C#N)c3)nn2)cc1OC
InChIInChI=1S/C20H17N5O3/c1-27-16-7-6-14(11-17(16)28-2)20(26)23-19-9-8-18(24-25-19)22-15-5-3-4-13(10-15)12-21/h3-11H,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyGJIVHHDELVIHPF-UHFFFAOYSA-N
XLogP3.36
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177812
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide
CID 113048865
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113048870
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113037183
4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide
CID 9083182
2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109269822
2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177849
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046357
6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109129841
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide (CID 113051223) is N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3cccc(C#N)c3)nn2)cc1OC.
What is the InChIKey of N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide?
The InChIKey is GJIVHHDELVIHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-27-16-7-6-14(11-17(16)28-2)20(26)23-19-9-8-18(24-25-19)22-15-5-3-4-13(10-15)12-21/h3-11H,1-2H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide?
N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 375.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113051223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).