N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide

C20H26N4O — CID 53035076

IUPACN-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C20H26N4O/c1-4-20(2,3)21-19(25)16-9-7-15(8-10-16)17-11-12-18(23-22-17)24-13-5-6-14-24/h7-12H,4-6,13-14H2,1-3H3,(H,21,25)
InChIKeyXDURZYJFTBFWJO-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.66
Rot. Bonds5

About N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide

N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (PubChem CID 53035076) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
PubChem CID53035076
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C20H26N4O/c1-4-20(2,3)21-19(25)16-9-7-15(8-10-16)17-11-12-18(23-22-17)24-13-5-6-14-24/h7-12H,4-6,13-14H2,1-3H3,(H,21,25)
InChIKeyXDURZYJFTBFWJO-UHFFFAOYSA-N
XLogP3.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035071
N-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53009790
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-tert-butylbenzamide
CID 43992152
N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035075
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 41089324
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694
N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098736
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 41077843
1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992543

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (CID 53035076) is N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The InChIKey is XDURZYJFTBFWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-20(2,3)21-19(25)16-9-7-15(8-10-16)17-11-12-18(23-22-17)24-13-5-6-14-24/h7-12H,4-6,13-14H2,1-3H3,(H,21,25).
What are the key properties of N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide has a molecular weight of 338.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 53035076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).