1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide

C23H23ClN4O3 — CID 24686915

IUPAC1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C23H23ClN4O3/c1-3-27(15-21(29)25-20-13-18(24)10-9-16(20)2)23(31)19-11-12-22(30)28(26-19)14-17-7-5-4-6-8-17/h4-13H,3,14-15H2,1-2H3,(H,25,29)
InChIKeyFOQGBFQFDSVWHT-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.35
Rot. Bonds7

About 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide

1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide (PubChem CID 24686915) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide
PubChem CID24686915
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C23H23ClN4O3/c1-3-27(15-21(29)25-20-13-18(24)10-9-16(20)2)23(31)19-11-12-22(30)28(26-19)14-17-7-5-4-6-8-17/h4-13H,3,14-15H2,1-2H3,(H,25,29)
InChIKeyFOQGBFQFDSVWHT-UHFFFAOYSA-N
XLogP3.35
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide (CID 24686915) is 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is FOQGBFQFDSVWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-3-27(15-21(29)25-20-13-18(24)10-9-16(20)2)23(31)19-11-12-22(30)28(26-19)14-17-7-5-4-6-8-17/h4-13H,3,14-15H2,1-2H3,(H,25,29).
What are the key properties of 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 24686915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).