N-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide

C22H23N5O4 — CID 56511987

IUPACN-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(N(C)C)nn2)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H23N5O4/c1-27(2)20-11-10-15(25-26-20)22(29)24-17-13-18(30-3)16(12-19(17)31-4)23-21(28)14-8-6-5-7-9-14/h5-13H,1-4H3,(H,23,28)(H,24,29)
InChIKeyNRNPJJLGPUEWPK-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.06
Rot. Bonds7

About N-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide

N-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide (PubChem CID 56511987) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide
PubChem CID56511987
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC NameN-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(N(C)C)nn2)c(OC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H23N5O4/c1-27(2)20-11-10-15(25-26-20)22(29)24-17-13-18(30-3)16(12-19(17)31-4)23-21(28)14-8-6-5-7-9-14/h5-13H,1-4H3,(H,23,28)(H,24,29)
InChIKeyNRNPJJLGPUEWPK-UHFFFAOYSA-N
XLogP3.06
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide (CID 56511987) is N-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide is COc1cc(NC(=O)c2ccc(N(C)C)nn2)c(OC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide?
The InChIKey is NRNPJJLGPUEWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-27(2)20-11-10-15(25-26-20)22(29)24-17-13-18(30-3)16(12-19(17)31-4)23-21(28)14-8-6-5-7-9-14/h5-13H,1-4H3,(H,23,28)(H,24,29).
What are the key properties of N-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide?
N-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2,5-dimethoxyphenyl)-6-(dimethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 56511987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).