N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide

C20H19ClN4O3 — CID 18569759

IUPACN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C20H19ClN4O3/c1-2-28-20-16(4-3-11-23-20)19(27)22-12-13-25-18(26)10-9-17(24-25)14-5-7-15(21)8-6-14/h3-11H,2,12-13H2,1H3,(H,22,27)
InChIKeyIJMMAAPBWJNYSH-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.79
Rot. Bonds7

About N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide

N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide (PubChem CID 18569759) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide
PubChem CID18569759
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C20H19ClN4O3/c1-2-28-20-16(4-3-11-23-20)19(27)22-12-13-25-18(26)10-9-17(24-25)14-5-7-15(21)8-6-14/h3-11H,2,12-13H2,1H3,(H,22,27)
InChIKeyIJMMAAPBWJNYSH-UHFFFAOYSA-N
XLogP2.79
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide (CID 18569759) is N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)NCCn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is IJMMAAPBWJNYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-2-28-20-16(4-3-11-23-20)19(27)22-12-13-25-18(26)10-9-17(24-25)14-5-7-15(21)8-6-14/h3-11H,2,12-13H2,1H3,(H,22,27).
What are the key properties of N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide?
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 18569759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).