2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide

C14H12N4O2 — CID 116787076

IUPAC2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide
SMILESN#CC(Cc1ccccc1)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C14H12N4O2/c15-9-11(8-10-4-2-1-3-5-10)14(20)16-12-6-7-13(19)18-17-12/h1-7,11H,8H2,(H,18,19)(H,16,17,20)
InChIKeyJSCFODNSVWKVMO-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.09
Rot. Bonds4

About 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide

2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide (PubChem CID 116787076) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide
PubChem CID116787076
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide
SMILESN#CC(Cc1ccccc1)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C14H12N4O2/c15-9-11(8-10-4-2-1-3-5-10)14(20)16-12-6-7-13(19)18-17-12/h1-7,11H,8H2,(H,18,19)(H,16,17,20)
InChIKeyJSCFODNSVWKVMO-UHFFFAOYSA-N
XLogP1.09
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide
CID 104893301
2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
CID 116787071
N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide
CID 103094354
2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 107857151
(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide
CID 863695
2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 4674478
2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303
(2S)-2-cyano-3-phenylpropanoate
CID 6928308
2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
CID 106371943
2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463211
2-cyano-N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 82873118
2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 15168845

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide?
The IUPAC name of 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide (CID 116787076) is 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide?
The canonical SMILES for 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide is N#CC(Cc1ccccc1)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide?
The InChIKey is JSCFODNSVWKVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-9-11(8-10-4-2-1-3-5-10)14(20)16-12-6-7-13(19)18-17-12/h1-7,11H,8H2,(H,18,19)(H,16,17,20).
What are the key properties of 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide?
2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide has a molecular weight of 268.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 116787076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).