2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide

C21H22ClN5O3 — CID 92571086

IUPAC2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide
SMILESNc1cc(-c2ccco2)nn(CC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1=O
InChIInChI=1S/C21H22ClN5O3/c22-15-11-14(6-7-18(15)26-8-2-1-3-9-26)24-20(28)13-27-21(29)16(23)12-17(25-27)19-5-4-10-30-19/h4-7,10-12H,1-3,8-9,13,23H2,(H,24,28)
InChIKeyPYBGXXWQUIEXNJ-UHFFFAOYSA-N
MW427.89 g/mol
LogP3.37
Rot. Bonds5

About 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide

2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide (PubChem CID 92571086) has the molecular formula C21H22ClN5O3 and a molecular weight of 427.89 g/mol. Its IUPAC name is 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide
PubChem CID92571086
Molecular FormulaC21H22ClN5O3
Molecular Weight427.89 g/mol
Exact Mass427.14
IUPAC Name2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide
SMILESNc1cc(-c2ccco2)nn(CC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1=O
InChIInChI=1S/C21H22ClN5O3/c22-15-11-14(6-7-18(15)26-8-2-1-3-9-26)24-20(28)13-27-21(29)16(23)12-17(25-27)19-5-4-10-30-19/h4-7,10-12H,1-3,8-9,13,23H2,(H,24,28)
InChIKeyPYBGXXWQUIEXNJ-UHFFFAOYSA-N
XLogP3.37
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 46961048
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 46960877
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 51589118
1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea
CID 60590963
4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one
CID 51495017
N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide
CID 47296916
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55885276
N-(9H-fluoren-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121049822
N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 7659439
N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 30836842
N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide
CID 22425705
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 46961074

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide (CID 92571086) is 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide is Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1=O.
What is the InChIKey of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide?
The InChIKey is PYBGXXWQUIEXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O3/c22-15-11-14(6-7-18(15)26-8-2-1-3-9-26)24-20(28)13-27-21(29)16(23)12-17(25-27)19-5-4-10-30-19/h4-7,10-12H,1-3,8-9,13,23H2,(H,24,28).
What are the key properties of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide?
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide has a molecular weight of 427.89 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 92571086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).