N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

C17H18N4O2 — CID 51077267

IUPACN-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(C)c2ccc(C#N)cc2)ccc1=O
InChIInChI=1S/C17H18N4O2/c1-3-10-21-16(22)9-8-15(20-21)17(23)19-12(2)14-6-4-13(11-18)5-7-14/h4-9,12H,3,10H2,1-2H3,(H,19,23)
InChIKeyZBYQYBONBLVLTD-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.02
Rot. Bonds5

About N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 51077267) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID51077267
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(C)c2ccc(C#N)cc2)ccc1=O
InChIInChI=1S/C17H18N4O2/c1-3-10-21-16(22)9-8-15(20-21)17(23)19-12(2)14-6-4-13(11-18)5-7-14/h4-9,12H,3,10H2,1-2H3,(H,19,23)
InChIKeyZBYQYBONBLVLTD-UHFFFAOYSA-N
XLogP2.02
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 51077267) is N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NC(C)c2ccc(C#N)cc2)ccc1=O.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is ZBYQYBONBLVLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-10-21-16(22)9-8-15(20-21)17(23)19-12(2)14-6-4-13(11-18)5-7-14/h4-9,12H,3,10H2,1-2H3,(H,19,23).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 51077267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).