N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide

C23H19Cl2N3O4 — CID 162746745

IUPACN-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)N(c1ccc2c(c1)OCCO2)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C23H19Cl2N3O4/c1-14(29)28(16-5-6-20-21(12-16)32-10-9-31-20)22-11-15(7-8-26-22)27-23(30)13-17-18(24)3-2-4-19(17)25/h2-8,11-12H,9-10,13H2,1H3,(H,26,27,30)
InChIKeySKYFRCXYTJZXGA-UHFFFAOYSA-N
MW472.33 g/mol
LogP5.03
Rot. Bonds5

About N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide

N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide (PubChem CID 162746745) has the molecular formula C23H19Cl2N3O4 and a molecular weight of 472.33 g/mol. Its IUPAC name is N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
PubChem CID162746745
Molecular FormulaC23H19Cl2N3O4
Molecular Weight472.33 g/mol
Exact Mass471.08
IUPAC NameN-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)N(c1ccc2c(c1)OCCO2)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C23H19Cl2N3O4/c1-14(29)28(16-5-6-20-21(12-16)32-10-9-31-20)22-11-15(7-8-26-22)27-23(30)13-17-18(24)3-2-4-19(17)25/h2-8,11-12H,9-10,13H2,1H3,(H,26,27,30)
InChIKeySKYFRCXYTJZXGA-UHFFFAOYSA-N
XLogP5.03
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.33
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428425
N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746899
N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide
CID 162428357
N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428308
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746618
N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide
CID 162428331
N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746490
N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746556
N-[2-[acetyl-(2-methylpyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746856
N-(3-chlorophenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide
CID 166927724
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide
CID 162746509
N-[2-(N-acetyl-4-fluoroanilino)-4-pyridinyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 162428244

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide (CID 162746745) is N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide is CC(=O)N(c1ccc2c(c1)OCCO2)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1.
What is the InChIKey of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is SKYFRCXYTJZXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O4/c1-14(29)28(16-5-6-20-21(12-16)32-10-9-31-20)22-11-15(7-8-26-22)27-23(30)13-17-18(24)3-2-4-19(17)25/h2-8,11-12H,9-10,13H2,1H3,(H,26,27,30).
What are the key properties of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 472.33 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 162746745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).