N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C20H18F2N4O4S — CID 118293562

IUPACN-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCOc1ncc(-c2ccnc(NC(C)=O)c2)c(C)c1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H18F2N4O4S/c1-11-15(13-6-7-23-18(8-13)25-12(2)27)10-24-20(30-3)19(11)26-31(28,29)17-5-4-14(21)9-16(17)22/h4-10,26H,1-3H3,(H,23,25,27)
InChIKeyPXDXNGXOBANEFM-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.50
Rot. Bonds6

About N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118293562) has the molecular formula C20H18F2N4O4S and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118293562
Molecular FormulaC20H18F2N4O4S
Molecular Weight448.45 g/mol
Exact Mass448.10
IUPAC NameN-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCOc1ncc(-c2ccnc(NC(C)=O)c2)c(C)c1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H18F2N4O4S/c1-11-15(13-6-7-23-18(8-13)25-12(2)27)10-24-20(30-3)19(11)26-31(28,29)17-5-4-14(21)9-16(17)22/h4-10,26H,1-3H3,(H,23,25,27)
InChIKeyPXDXNGXOBANEFM-UHFFFAOYSA-N
XLogP3.50
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

PI3K/mTOR Inhibitor-2
CID 118616775
N-[5-(2-amino-3-phenyl-6-quinolyl)-2-methoxy-3-pyridyl]-2,4-difluoro-benzenesulfonamide
CID 66800530
N-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
CID 72375901
N-[5-(7-amino-1-cyclopropyl-5-methyl-2-oxo-1,6-naphthyridin-3-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 76317570
N-[5-(2-Amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 76321298
N-[5-(7-amino-1-cyclopentyl-5-methyl-2-oxo-1,6-naphthyridin-3-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 76332161
N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 118616923
4-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 118616927
3-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 118616951
2,5-difluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 118616958
2-fluoro-N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 118616985
N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)pyridin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 118617093

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 118293562) is N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide is COc1ncc(-c2ccnc(NC(C)=O)c2)c(C)c1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is PXDXNGXOBANEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O4S/c1-11-15(13-6-7-23-18(8-13)25-12(2)27)10-24-20(30-3)19(11)26-31(28,29)17-5-4-14(21)9-16(17)22/h4-10,26H,1-3H3,(H,23,25,27).
What are the key properties of N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 448.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118293562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).