N-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide

C23H19ClFN3O2S — CID 146525568

IUPACN-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide
SMILESCC1Sc2ncc(C(=O)NCc3ccccc3)cc2N(Cc2c(F)cccc2Cl)C1=O
InChIInChI=1S/C23H19ClFN3O2S/c1-14-23(30)28(13-17-18(24)8-5-9-19(17)25)20-10-16(12-27-22(20)31-14)21(29)26-11-15-6-3-2-4-7-15/h2-10,12,14H,11,13H2,1H3,(H,26,29)
InChIKeyDZEYSDGEUGQTHZ-UHFFFAOYSA-N
MW455.94 g/mol
LogP4.83
Rot. Bonds5

About N-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide

N-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide (PubChem CID 146525568) has the molecular formula C23H19ClFN3O2S and a molecular weight of 455.94 g/mol. Its IUPAC name is N-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide
PubChem CID146525568
Molecular FormulaC23H19ClFN3O2S
Molecular Weight455.94 g/mol
Exact Mass455.09
IUPAC NameN-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide
SMILESCC1Sc2ncc(C(=O)NCc3ccccc3)cc2N(Cc2c(F)cccc2Cl)C1=O
InChIInChI=1S/C23H19ClFN3O2S/c1-14-23(30)28(13-17-18(24)8-5-9-19(17)25)20-10-16(12-27-22(20)31-14)21(29)26-11-15-6-3-2-4-7-15/h2-10,12,14H,11,13H2,1H3,(H,26,29)
InChIKeyDZEYSDGEUGQTHZ-UHFFFAOYSA-N
XLogP4.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.94
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorocyclopenta-2,4-dien-1-yl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-b][1,4]thiazine-7-carboxamide
CID 146579271
N-(1-benzofuran-2-ylmethyl)-4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]thiazine-6-carboxamide
CID 146579302
4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-N-(2-phenylethyl)-1,4-benzothiazine-6-carboxamide
CID 3369825
(4S)-1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-fluoro-6-hydroxyphenyl)methyl]-3,4-dimethyl-2-oxo-4H-quinazoline-7-carboxamide
CID 146546906
1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid
CID 146525607
1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-N-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxo-4H-quinazoline-7-carboxamide
CID 146546829
N-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide
CID 142502256
1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxoindole-6-carboxamide
CID 146592690
5-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 15990772
3-chloro-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 142502443
1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxoindole-6-carboxamide
CID 142502538
N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 68650924

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide?
The IUPAC name of N-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide (CID 146525568) is N-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide.
What is the SMILES notation for N-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide?
The canonical SMILES for N-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide is CC1Sc2ncc(C(=O)NCc3ccccc3)cc2N(Cc2c(F)cccc2Cl)C1=O.
What is the InChIKey of N-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide?
The InChIKey is DZEYSDGEUGQTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O2S/c1-14-23(30)28(13-17-18(24)8-5-9-19(17)25)20-10-16(12-27-22(20)31-14)21(29)26-11-15-6-3-2-4-7-15/h2-10,12,14H,11,13H2,1H3,(H,26,29).
What are the key properties of N-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide?
N-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide has a molecular weight of 455.94 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide is sourced from PubChem (CID 146525568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).