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

C24H27N5O4S — CID 55647633

IUPACN-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCCOc1ncccc1NC(=O)c1ccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)cc1
InChIInChI=1S/C24H27N5O4S/c1-2-33-23-18(7-6-12-25-23)27-21(31)16-8-10-17(11-9-16)26-20(30)15-19-22(32)28-24(34-19)29-13-4-3-5-14-29/h6-12,19H,2-5,13-15H2,1H3,(H,26,30)(H,27,31)
InChIKeyZXYSRZVJGZZJFD-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.55
Rot. Bonds7

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

N-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 55647633) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID55647633
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC NameN-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCCOc1ncccc1NC(=O)c1ccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)cc1
InChIInChI=1S/C24H27N5O4S/c1-2-33-23-18(7-6-12-25-23)27-21(31)16-8-10-17(11-9-16)26-20(30)15-19-22(32)28-24(34-19)29-13-4-3-5-14-29/h6-12,19H,2-5,13-15H2,1H3,(H,26,30)(H,27,31)
InChIKeyZXYSRZVJGZZJFD-UHFFFAOYSA-N
XLogP3.55
TPSA112.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(2-methylsulfanylphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55528966
N-(3-chloro-2-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46636062
N-methyl-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 7612288
N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 24982889
N-[(2R)-butan-2-yl]-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 9441013
N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378431
4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 51470258
N-(3-methoxyphenyl)-4-[[2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 26202131
N-(3-chloro-4-methylphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 45354187
N-[2-(diethylamino)ethyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378354
N,N-bis(2-methoxyethyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378379
4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-(thiophen-2-ylmethyl)benzamide
CID 41202358

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of N-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (CID 55647633) is N-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is CCOc1ncccc1NC(=O)c1ccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)cc1.
What is the InChIKey of N-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is ZXYSRZVJGZZJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-2-33-23-18(7-6-12-25-23)27-21(31)16-8-10-17(11-9-16)26-20(30)15-19-22(32)28-24(34-19)29-13-4-3-5-14-29/h6-12,19H,2-5,13-15H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 481.58 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-3-pyridinyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 55647633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).