N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide

C19H24N4O3 — CID 50971729

IUPACN-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NCCn1[nH]c(=O)ccc1=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C19H24N4O3/c24-17-8-9-18(25)23(21-17)13-10-20-19(26)16-6-4-15(5-7-16)14-22-11-2-1-3-12-22/h4-9H,1-3,10-14H2,(H,20,26)(H,21,24)
InChIKeyUXTIGQKIADRKLB-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.95
Rot. Bonds6

About N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide

N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 50971729) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID50971729
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NCCn1[nH]c(=O)ccc1=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C19H24N4O3/c24-17-8-9-18(25)23(21-17)13-10-20-19(26)16-6-4-15(5-7-16)14-22-11-2-1-3-12-22/h4-9H,1-3,10-14H2,(H,20,26)(H,21,24)
InChIKeyUXTIGQKIADRKLB-UHFFFAOYSA-N
XLogP0.95
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-oxoimidazolidin-1-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 118795910
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
4-(azepan-1-ylmethyl)-N-[3-(2-oxo-1-pyridinyl)propyl]benzamide
CID 90652688
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41455697
N-[3-(4-fluorophenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 46773438
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 110903134
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide (CID 50971729) is N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide is O=C(NCCn1[nH]c(=O)ccc1=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is UXTIGQKIADRKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-17-8-9-18(25)23(21-17)13-10-20-19(26)16-6-4-15(5-7-16)14-22-11-2-1-3-12-22/h4-9H,1-3,10-14H2,(H,20,26)(H,21,24).
What are the key properties of N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 356.43 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 50971729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).