N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide

C23H22ClFN4O4S — CID 90643473

IUPACN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)S2(=O)=O)cc1
InChIInChI=1S/C23H22ClFN4O4S/c1-14-4-7-16(8-5-14)29-12-2-3-20(34(29,31)32)23(30)28-15-6-9-18(17(25)13-15)33-19-10-11-27-22(26)21(19)24/h4-11,13,20H,2-3,12H2,1H3,(H2,26,27)(H,28,30)
InChIKeyRKLPFFXNQXCINY-UHFFFAOYSA-N
MW504.97 g/mol
LogP4.49
Rot. Bonds5

About N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide

N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide (PubChem CID 90643473) has the molecular formula C23H22ClFN4O4S and a molecular weight of 504.97 g/mol. Its IUPAC name is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide
PubChem CID90643473
Molecular FormulaC23H22ClFN4O4S
Molecular Weight504.97 g/mol
Exact Mass504.10
IUPAC NameN-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)S2(=O)=O)cc1
InChIInChI=1S/C23H22ClFN4O4S/c1-14-4-7-16(8-5-14)29-12-2-3-20(34(29,31)32)23(30)28-15-6-9-18(17(25)13-15)33-19-10-11-27-22(26)21(19)24/h4-11,13,20H,2-3,12H2,1H3,(H2,26,27)(H,28,30)
InChIKeyRKLPFFXNQXCINY-UHFFFAOYSA-N
XLogP4.49
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.97
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxamide
CID 155177383
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2H-pyridine-3-carboxamide
CID 90338904
1-(4-chlorophenyl)-N-(3-fluoro-4-thieno[3,2-b]pyridin-7-yloxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 24983543
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-3H-pyridine-5-carboxamide
CID 68735331
(Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide
CID 167269576
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167268113
[5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-3,4-dihydropyridin-1-yl]-2-fluorophenyl]methoxy-dihydroxy-nitrosophosphanium
CID 155006616
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide
CID 155538576
[4-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-1-pyridinyl]-2-fluorophenyl] dihydrogen phosphate
CID 155006610
N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-6-methyl-1-(4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 167268776
N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide
CID 143062235
[5-[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-4-ethoxy-2-oxo-1-pyridinyl]-2-fluorophenyl] diethyl phosphate
CID 154998159

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide?
The IUPAC name of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide (CID 90643473) is N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide?
The canonical SMILES for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide is Cc1ccc(N2CCCC(C(=O)Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)S2(=O)=O)cc1.
What is the InChIKey of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide?
The InChIKey is RKLPFFXNQXCINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O4S/c1-14-4-7-16(8-5-14)29-12-2-3-20(34(29,31)32)23(30)28-15-6-9-18(17(25)13-15)33-19-10-11-27-22(26)21(19)24/h4-11,13,20H,2-3,12H2,1H3,(H2,26,27)(H,28,30).
What are the key properties of N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide?
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide has a molecular weight of 504.97 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide is sourced from PubChem (CID 90643473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).