1-benzyl-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide

C24H26N4O3 — CID 24981671

IUPAC1-benzyl-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C24H26N4O3/c1-3-15-27(17-22(29)25-20-12-8-7-9-18(20)2)24(31)21-13-14-23(30)28(26-21)16-19-10-5-4-6-11-19/h4-14H,3,15-17H2,1-2H3,(H,25,29)
InChIKeyLZFXWKCAJUSJQS-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.09
Rot. Bonds8

About 1-benzyl-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide

1-benzyl-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide (PubChem CID 24981671) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-benzyl-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide
PubChem CID24981671
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-benzyl-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C24H26N4O3/c1-3-15-27(17-22(29)25-20-12-8-7-9-18(20)2)24(31)21-13-14-23(30)28(26-21)16-19-10-5-4-6-11-19/h4-14H,3,15-17H2,1-2H3,(H,25,29)
InChIKeyLZFXWKCAJUSJQS-UHFFFAOYSA-N
XLogP3.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.09
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-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide (CID 24981671) is 1-benzyl-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide?
The InChIKey is LZFXWKCAJUSJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-15-27(17-22(29)25-20-12-8-7-9-18(20)2)24(31)21-13-14-23(30)28(26-21)16-19-10-5-4-6-11-19/h4-14H,3,15-17H2,1-2H3,(H,25,29).
What are the key properties of 1-benzyl-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide?
1-benzyl-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 24981671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).