2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide

C17H18ClN3O4 — CID 51552859

IUPAC2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC[C@H]1COCCO1
InChIInChI=1S/C17H18ClN3O4/c18-13-3-1-12(2-4-13)15-5-6-17(23)21(20-15)10-16(22)19-9-14-11-24-7-8-25-14/h1-6,14H,7-11H2,(H,19,22)/t14-/m0/s1
InChIKeyNVNWGRLBTBGISV-AWEZNQCLSA-N
MW363.80 g/mol
LogP1.10
Rot. Bonds5

About 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide (PubChem CID 51552859) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide
PubChem CID51552859
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC[C@H]1COCCO1
InChIInChI=1S/C17H18ClN3O4/c18-13-3-1-12(2-4-13)15-5-6-17(23)21(20-15)10-16(22)19-9-14-11-24-7-8-25-14/h1-6,14H,7-11H2,(H,19,22)/t14-/m0/s1
InChIKeyNVNWGRLBTBGISV-AWEZNQCLSA-N
XLogP1.10
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3665845
2-[3-(4-Chloro-phenyl)-6-oxo-6H-pyridazin-1-yl]-N-[1,4]dioxan-2-ylmethyl-acetamide
CID 24792340
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(3-methoxypropyl)propanamide
CID 5046318
6-(4-chlorophenyl)-2-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]pyridazin-3(2H)-one
CID 4423280
2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 3236867
2-[3-(4-Chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-[2-(morpholin-4-YL)ethyl]acetamide
CID 4422325
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(3-ethoxypropyl)propanamide
CID 5046319
N-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 653494
2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(2-phenylethyl)acetamide
CID 4423410
2-[3-(3-Chloro-phenyl)-6-oxo-6H-pyridazin-1-yl]-N-[1,4]dioxan-2-ylmethyl-acetamide
CID 24981338
3(2H)-Pyridazinone, 6-(p-chlorophenyl)-4-methyl-2-(2-morpholinoethyl)-, hydrochloride
CID 207185
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(2-methoxyethyl)propanamide
CID 3244988

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide (CID 51552859) is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NC[C@H]1COCCO1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide?
The InChIKey is NVNWGRLBTBGISV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c18-13-3-1-12(2-4-13)15-5-6-17(23)21(20-15)10-16(22)19-9-14-11-24-7-8-25-14/h1-6,14H,7-11H2,(H,19,22)/t14-/m0/s1.
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide?
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide has a molecular weight of 363.80 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-1,4-dioxan-2-yl]methyl]acetamide is sourced from PubChem (CID 51552859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).