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

C19H24N4O — CID 53009790

IUPACN-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESCC(C)CNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C19H24N4O/c1-14(2)13-20-19(24)16-7-5-15(6-8-16)17-9-10-18(22-21-17)23-11-3-4-12-23/h5-10,14H,3-4,11-13H2,1-2H3,(H,20,24)
InChIKeyDMEPSOWICMQBQR-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.13
Rot. Bonds5

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

N-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (PubChem CID 53009790) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
PubChem CID53009790
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESCC(C)CNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C19H24N4O/c1-14(2)13-20-19(24)16-7-5-15(6-8-16)17-9-10-18(22-21-17)23-11-3-4-12-23/h5-10,14H,3-4,11-13H2,1-2H3,(H,20,24)
InChIKeyDMEPSOWICMQBQR-UHFFFAOYSA-N
XLogP3.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.13
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-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035076
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
N-(3-morpholin-4-ylpropyl)-4-(6-piperidin-1-ylpyridazin-3-yl)benzamide
CID 53098773
N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035075
N-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 125445112
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-tert-butylbenzamide
CID 43992152
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 30361211
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]-4-phenylbenzamide
CID 43992160
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 41089324

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (CID 53009790) is N-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is CC(C)CNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The InChIKey is DMEPSOWICMQBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(2)13-20-19(24)16-7-5-15(6-8-16)17-9-10-18(22-21-17)23-11-3-4-12-23/h5-10,14H,3-4,11-13H2,1-2H3,(H,20,24).
What are the key properties of N-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
N-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide has a molecular weight of 324.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 53009790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).