N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide

C22H18FN3O4S — CID 18560954

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cccn(OCc4ccc(F)cc4)c3=O)sc2c1
InChIInChI=1S/C22H18FN3O4S/c1-2-29-16-9-10-18-19(12-16)31-22(24-18)25-20(27)17-4-3-11-26(21(17)28)30-13-14-5-7-15(23)8-6-14/h3-12H,2,13H2,1H3,(H,24,25,27)
InChIKeyBLQAYUPSLGLBDH-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.88
Rot. Bonds7

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide (PubChem CID 18560954) has the molecular formula C22H18FN3O4S and a molecular weight of 439.47 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
PubChem CID18560954
Molecular FormulaC22H18FN3O4S
Molecular Weight439.47 g/mol
Exact Mass439.10
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3cccn(OCc4ccc(F)cc4)c3=O)sc2c1
InChIInChI=1S/C22H18FN3O4S/c1-2-29-16-9-10-18-19(12-16)31-22(24-18)25-20(27)17-4-3-11-26(21(17)28)30-13-14-5-7-15(23)8-6-14/h3-12H,2,13H2,1H3,(H,24,25,27)
InChIKeyBLQAYUPSLGLBDH-UHFFFAOYSA-N
XLogP3.88
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 3536818
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108811202
N-(1,3-benzothiazol-2-yl)-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 7190115
1-[(3-methylphenyl)methoxy]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide
CID 46259869
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3249523
1-[(4-fluorophenyl)methoxy]-N-(4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 6710602
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
(2S)-2-bromo-N-[6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-yl]butanamide
CID 28662332
2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-fluorophenyl)ethanone
CID 110825428
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide (CID 18560954) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide is CCOc1ccc2nc(NC(=O)c3cccn(OCc4ccc(F)cc4)c3=O)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
The InChIKey is BLQAYUPSLGLBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4S/c1-2-29-16-9-10-18-19(12-16)31-22(24-18)25-20(27)17-4-3-11-26(21(17)28)30-13-14-5-7-15(23)8-6-14/h3-12H,2,13H2,1H3,(H,24,25,27).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 18560954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).