2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide

C26H22FN5O4S — CID 164607386

IUPAC2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(C4CCNC(=O)C4)ccc3s2)cc1F
InChIInChI=1S/C26H22FN5O4S/c27-18-10-14(3-5-20(18)36-25-17(24(28)35)2-1-8-30-25)11-23(34)32-26-31-19-12-15(4-6-21(19)37-26)16-7-9-29-22(33)13-16/h1-6,8,10,12,16H,7,9,11,13H2,(H2,28,35)(H,29,33)(H,31,32,34)
InChIKeyAQVUVMWZCGMEGX-UHFFFAOYSA-N
MW519.56 g/mol
LogP3.90
Rot. Bonds7

About 2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide

2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 164607386) has the molecular formula C26H22FN5O4S and a molecular weight of 519.56 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID164607386
Molecular FormulaC26H22FN5O4S
Molecular Weight519.56 g/mol
Exact Mass519.14
IUPAC Name2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(C4CCNC(=O)C4)ccc3s2)cc1F
InChIInChI=1S/C26H22FN5O4S/c27-18-10-14(3-5-20(18)36-25-17(24(28)35)2-1-8-30-25)11-23(34)32-26-31-19-12-15(4-6-21(19)37-26)16-7-9-29-22(33)13-16/h1-6,8,10,12,16H,7,9,11,13H2,(H2,28,35)(H,29,33)(H,31,32,34)
InChIKeyAQVUVMWZCGMEGX-UHFFFAOYSA-N
XLogP3.90
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.56
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide with MolForge

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Related Compounds

(4R)-4-[2-[4-(1,3-benzothiazol-2-ylamino)phenoxy]-3-pyridinyl]-1-methylpiperidin-2-one
CID 59327037
2-[4-(1,3-benzothiazol-2-ylamino)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 86766336
US11306081, Example 151
CID 137408458
US11306081, Example 003
CID 137408477
US11306081, Example 001
CID 137408490
US11306081, Example 020
CID 137408491
US11306081, Example 004
CID 137408497
US11306081, Example 021
CID 137408503
US11306081, Example 017
CID 137408505
US11306081, Example 013
CID 137408526
US11306081, Example 015
CID 137419170
US11306081, Example 046
CID 142516277

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide (CID 164607386) is 2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(C4CCNC(=O)C4)ccc3s2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is AQVUVMWZCGMEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O4S/c27-18-10-14(3-5-20(18)36-25-17(24(28)35)2-1-8-30-25)11-23(34)32-26-31-19-12-15(4-6-21(19)37-26)16-7-9-29-22(33)13-16/h1-6,8,10,12,16H,7,9,11,13H2,(H2,28,35)(H,29,33)(H,31,32,34).
What are the key properties of 2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide?
2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 519.56 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-oxo-2-[[5-(2-oxopiperidin-4-yl)-1,3-benzothiazol-2-yl]amino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 164607386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).