N-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide

C20H17F2N5O3S — CID 123552985

IUPACN-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3c(c2)S(=O)(=O)Nc2c(F)cc(F)cc2CN3C)ccn1
InChIInChI=1S/C20H17F2N5O3S/c1-11(28)25-18-7-12(3-4-23-18)13-6-17-20(24-9-13)27(2)10-14-5-15(21)8-16(22)19(14)26-31(17,29)30/h3-9,26H,10H2,1-2H3,(H,23,25,28)
InChIKeyPUCPFAVSOBFHAB-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.13
Rot. Bonds2

About N-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide

N-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide (PubChem CID 123552985) has the molecular formula C20H17F2N5O3S and a molecular weight of 445.45 g/mol. Its IUPAC name is N-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide
PubChem CID123552985
Molecular FormulaC20H17F2N5O3S
Molecular Weight445.45 g/mol
Exact Mass445.10
IUPAC NameN-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3c(c2)S(=O)(=O)Nc2c(F)cc(F)cc2CN3C)ccn1
InChIInChI=1S/C20H17F2N5O3S/c1-11(28)25-18-7-12(3-4-23-18)13-6-17-20(24-9-13)27(2)10-14-5-15(21)8-16(22)19(14)26-31(17,29)30/h3-9,26H,10H2,1-2H3,(H,23,25,28)
InChIKeyPUCPFAVSOBFHAB-UHFFFAOYSA-N
XLogP3.13
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[4-[8-(2,4-difluorophenyl)-8-oxo-8λ6-thia-2,7,9-triazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-4-yl]-2-pyridinyl]acetamide
CID 126690730
N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
CID 158101881
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118237846
N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
CID 118249007
N-[4-[6-amino-5-(1,1-dihydroxy-1,2,6-thiadiazinan-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293552
N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118238365
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
N-[4-[5-(4-fluorophenyl)-1-oxido-3-(2-piperidin-1-ylethyl)imidazol-1-ium-4-yl]-2-pyridinyl]acetamide
CID 11750588
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562
N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 159402867
N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide
CID 118246523

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide (CID 123552985) is N-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc3c(c2)S(=O)(=O)Nc2c(F)cc(F)cc2CN3C)ccn1.
What is the InChIKey of N-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide?
The InChIKey is PUCPFAVSOBFHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O3S/c1-11(28)25-18-7-12(3-4-23-18)13-6-17-20(24-9-13)27(2)10-14-5-15(21)8-16(22)19(14)26-31(17,29)30/h3-9,26H,10H2,1-2H3,(H,23,25,28).
What are the key properties of N-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide?
N-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide has a molecular weight of 445.45 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,9-difluoro-12-methyl-5,5-dioxo-6,11-dihydropyrido[3,2-c][2,1,5]benzothiadiazocin-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 123552985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).