N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide

C15H14N4O3 — CID 43824263

IUPACN-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide
SMILESN#Cc1ccc(NC(=O)CCCn2[nH]c(=O)ccc2=O)cc1
InChIInChI=1S/C15H14N4O3/c16-10-11-3-5-12(6-4-11)17-13(20)2-1-9-19-15(22)8-7-14(21)18-19/h3-8H,1-2,9H2,(H,17,20)(H,18,21)
InChIKeyUXAMYBPZLQZULD-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.83
Rot. Bonds5

About N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide

N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide (PubChem CID 43824263) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide
PubChem CID43824263
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide
SMILESN#Cc1ccc(NC(=O)CCCn2[nH]c(=O)ccc2=O)cc1
InChIInChI=1S/C15H14N4O3/c16-10-11-3-5-12(6-4-11)17-13(20)2-1-9-19-15(22)8-7-14(21)18-19/h3-8H,1-2,9H2,(H,17,20)(H,18,21)
InChIKeyUXAMYBPZLQZULD-UHFFFAOYSA-N
XLogP0.83
TPSA107.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,6-dioxo-1H-pyridazin-2-yl)-N-(4-iodophenyl)propanamide
CID 40688096
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
3-(3,6-dioxo-1H-pyridazin-2-yl)-N-phenylpropanamide
CID 40688091
N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide
CID 62879658
N-(4-cyanophenyl)pentanamide
CID 2162994
N-(4-cyanophenyl)-4-(3-cyano-1,2,4-triazol-1-yl)butanamide
CID 62951042
3-(5-chloro-2-oxo-1-pyridinyl)-N-(4-cyanophenyl)propanamide
CID 82031897
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
CID 46797444
N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43272096
N-(4-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 973423
N-(4-cyanophenyl)-4-(1,4-thiazepan-4-yl)butanamide
CID 61419822

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide?
The IUPAC name of N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide (CID 43824263) is N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide is N#Cc1ccc(NC(=O)CCCn2[nH]c(=O)ccc2=O)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide?
The InChIKey is UXAMYBPZLQZULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c16-10-11-3-5-12(6-4-11)17-13(20)2-1-9-19-15(22)8-7-14(21)18-19/h3-8H,1-2,9H2,(H,17,20)(H,18,21).
What are the key properties of N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide?
N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide has a molecular weight of 298.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(3,6-dioxo-1H-pyridazin-2-yl)butanamide is sourced from PubChem (CID 43824263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).