2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide

C22H23ClN4O3 — CID 112768234

IUPAC2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)c1cnn(Cc2ccccc2)c(=O)c1Cl
InChIInChI=1S/C22H23ClN4O3/c1-3-26(15-20(28)25-17-10-7-11-18(12-17)30-2)19-13-24-27(22(29)21(19)23)14-16-8-5-4-6-9-16/h4-13H,3,14-15H2,1-2H3,(H,25,28)
InChIKeyXBBCGJGDDBNCIN-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.42
Rot. Bonds8

About 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide

2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 112768234) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID112768234
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)c1cnn(Cc2ccccc2)c(=O)c1Cl
InChIInChI=1S/C22H23ClN4O3/c1-3-26(15-20(28)25-17-10-7-11-18(12-17)30-2)19-13-24-27(22(29)21(19)23)14-16-8-5-4-6-9-16/h4-13H,3,14-15H2,1-2H3,(H,25,28)
InChIKeyXBBCGJGDDBNCIN-UHFFFAOYSA-N
XLogP3.42
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide
CID 7410350
5-[benzyl(ethyl)amino]-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109282890
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 22194265
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 27135863
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
N-(1-ethylindazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 47083910
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 86915928
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide (CID 112768234) is 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)c1cnn(Cc2ccccc2)c(=O)c1Cl.
What is the InChIKey of 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is XBBCGJGDDBNCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-3-26(15-20(28)25-17-10-7-11-18(12-17)30-2)19-13-24-27(22(29)21(19)23)14-16-8-5-4-6-9-16/h4-13H,3,14-15H2,1-2H3,(H,25,28).
What are the key properties of 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide?
2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 426.90 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)-ethylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 112768234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).