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

C18H22N4O — CID 53035071

IUPACN-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESCCCNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C18H22N4O/c1-2-11-19-18(23)15-7-5-14(6-8-15)16-9-10-17(21-20-16)22-12-3-4-13-22/h5-10H,2-4,11-13H2,1H3,(H,19,23)
InChIKeyJADMNMYTIDHPHW-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.88
Rot. Bonds5

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

N-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (PubChem CID 53035071) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
PubChem CID53035071
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESCCCNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C18H22N4O/c1-2-11-19-18(23)15-7-5-14(6-8-15)16-9-10-17(21-20-16)22-12-3-4-13-22/h5-10H,2-4,11-13H2,1H3,(H,19,23)
InChIKeyJADMNMYTIDHPHW-UHFFFAOYSA-N
XLogP2.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53009790
N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035076
N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098736
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-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-tert-butylbenzamide
CID 43992152
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 41077843
N-[(2R)-2-methoxybutyl]-4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 125445112
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-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (CID 53035071) is N-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is CCCNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1.
What is the InChIKey of N-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The InChIKey is JADMNMYTIDHPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-11-19-18(23)15-7-5-14(6-8-15)16-9-10-17(21-20-16)22-12-3-4-13-22/h5-10H,2-4,11-13H2,1H3,(H,19,23).
What are the key properties of N-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
N-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 53035071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).