(4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate

C18H12N4O3 — CID 70518559

IUPAC(4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
SMILESN#Cc1ccc(OC(=O)Nc2ccc(-c3ccc(=O)[nH]n3)cc2)cc1
InChIInChI=1S/C18H12N4O3/c19-11-12-1-7-15(8-2-12)25-18(24)20-14-5-3-13(4-6-14)16-9-10-17(23)22-21-16/h1-10H,(H,20,24)(H,22,23)
InChIKeyACRDAKVKSYGQND-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.92
Rot. Bonds3

About (4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate

(4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate (PubChem CID 70518559) has the molecular formula C18H12N4O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is (4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate.

Molecular Properties

Compound Name(4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
PubChem CID70518559
Molecular FormulaC18H12N4O3
Molecular Weight332.32 g/mol
Exact Mass332.09
IUPAC Name(4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
SMILESN#Cc1ccc(OC(=O)Nc2ccc(-c3ccc(=O)[nH]n3)cc2)cc1
InChIInChI=1S/C18H12N4O3/c19-11-12-1-7-15(8-2-12)25-18(24)20-14-5-3-13(4-6-14)16-9-10-17(23)22-21-16/h1-10H,(H,20,24)(H,22,23)
InChIKeyACRDAKVKSYGQND-UHFFFAOYSA-N
XLogP2.92
TPSA107.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70516403
cyclobutyl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70516961
2-bromoethyl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70522133
2-methoxy-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 70517834
2-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 70518619
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
S-prop-2-ynyl N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamothioate
CID 88729986
(4-acetamidophenyl) 2-(4-cyanophenoxy)acetate
CID 26681952
2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 70518829
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577
(4-cyanophenyl) 2-anilino-2-oxoacetate
CID 58981566
N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 174832757

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
The IUPAC name of (4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate (CID 70518559) is (4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate.
What is the SMILES notation for (4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
The canonical SMILES for (4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate is N#Cc1ccc(OC(=O)Nc2ccc(-c3ccc(=O)[nH]n3)cc2)cc1.
What is the InChIKey of (4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
The InChIKey is ACRDAKVKSYGQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3/c19-11-12-1-7-15(8-2-12)25-18(24)20-14-5-3-13(4-6-14)16-9-10-17(23)22-21-16/h1-10H,(H,20,24)(H,22,23).
What are the key properties of (4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate?
(4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate has a molecular weight of 332.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate is sourced from PubChem (CID 70518559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).