N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide

C26H31N5O — CID 53098736

IUPACN-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESCCN(CCNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1)Cc1ccccc1
InChIInChI=1S/C26H31N5O/c1-2-30(20-21-8-4-3-5-9-21)19-16-27-26(32)23-12-10-22(11-13-23)24-14-15-25(29-28-24)31-17-6-7-18-31/h3-5,8-15H,2,6-7,16-20H2,1H3,(H,27,32)
InChIKeyACCSQDPLQOYZRF-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.00
Rot. Bonds9

About N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide

N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (PubChem CID 53098736) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
PubChem CID53098736
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC NameN-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESCCN(CCNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1)Cc1ccccc1
InChIInChI=1S/C26H31N5O/c1-2-30(20-21-8-4-3-5-9-21)19-16-27-26(32)23-12-10-22(11-13-23)24-14-15-25(29-28-24)31-17-6-7-18-31/h3-5,8-15H,2,6-7,16-20H2,1H3,(H,27,32)
InChIKeyACCSQDPLQOYZRF-UHFFFAOYSA-N
XLogP4.00
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035071
N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 53025177
N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025223
N-(2-methylpropyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53009790
N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574612
N-(2-methylbutan-2-yl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035076
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50772057
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (CID 53098736) is N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is CCN(CCNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The InChIKey is ACCSQDPLQOYZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-2-30(20-21-8-4-3-5-9-21)19-16-27-26(32)23-12-10-22(11-13-23)24-14-15-25(29-28-24)31-17-6-7-18-31/h3-5,8-15H,2,6-7,16-20H2,1H3,(H,27,32).
What are the key properties of N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide has a molecular weight of 429.57 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 53098736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).