2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide

C23H24N4O3 — CID 7593239

IUPAC2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C23H24N4O3/c1-29-19-9-6-10-20(30-2)22(19)23(28)24-17-8-5-7-16(15-17)18-11-12-21(26-25-18)27-13-3-4-14-27/h5-12,15H,3-4,13-14H2,1-2H3,(H,24,28)
InChIKeyIOBVRBAKTQNSTJ-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.01
Rot. Bonds6

About 2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide

2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 7593239) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID7593239
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C23H24N4O3/c1-29-19-9-6-10-20(30-2)22(19)23(28)24-17-8-5-7-16(15-17)18-11-12-21(26-25-18)27-13-3-4-14-27/h5-12,15H,3-4,13-14H2,1-2H3,(H,24,28)
InChIKeyIOBVRBAKTQNSTJ-UHFFFAOYSA-N
XLogP4.01
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991643
1-(2-methoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991819
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(3-methoxyphenyl)urea
CID 43991414
1-(2,4-dimethoxyphenyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991686
N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 46375078
4-fluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593222
N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816225
2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991777
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-phenylurea
CID 43991408
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-iodobenzamide
CID 43991324
2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 41077710
3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077549

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide (CID 7593239) is 2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1.
What is the InChIKey of 2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is IOBVRBAKTQNSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-29-19-9-6-10-20(30-2)22(19)23(28)24-17-8-5-7-16(15-17)18-11-12-21(26-25-18)27-13-3-4-14-27/h5-12,15H,3-4,13-14H2,1-2H3,(H,24,28).
What are the key properties of 2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7593239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).