N-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

C23H25N5O3S — CID 25161499

IUPACN-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCc1ccnc(NC(=O)c2cccc(NC(=O)CC3SC(N4CCCCC4)=NC3=O)c2)c1
InChIInChI=1S/C23H25N5O3S/c1-15-8-9-24-19(12-15)26-21(30)16-6-5-7-17(13-16)25-20(29)14-18-22(31)27-23(32-18)28-10-3-2-4-11-28/h5-9,12-13,18H,2-4,10-11,14H2,1H3,(H,25,29)(H,24,26,30)
InChIKeyYDOINXWTHYRPBJ-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.45
Rot. Bonds5

About N-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

N-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 25161499) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID25161499
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC NameN-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCc1ccnc(NC(=O)c2cccc(NC(=O)CC3SC(N4CCCCC4)=NC3=O)c2)c1
InChIInChI=1S/C23H25N5O3S/c1-15-8-9-24-19(12-15)26-21(30)16-6-5-7-17(13-16)25-20(29)14-18-22(31)27-23(32-18)28-10-3-2-4-11-28/h5-9,12-13,18H,2-4,10-11,14H2,1H3,(H,25,29)(H,24,26,30)
InChIKeyYDOINXWTHYRPBJ-UHFFFAOYSA-N
XLogP3.45
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (CID 25161499) is N-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is Cc1ccnc(NC(=O)c2cccc(NC(=O)CC3SC(N4CCCCC4)=NC3=O)c2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is YDOINXWTHYRPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-15-8-9-24-19(12-15)26-21(30)16-6-5-7-17(13-16)25-20(29)14-18-22(31)27-23(32-18)28-10-3-2-4-11-28/h5-9,12-13,18H,2-4,10-11,14H2,1H3,(H,25,29)(H,24,26,30).
What are the key properties of N-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 451.55 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 25161499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).