N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide

C25H28N4O3S — CID 26323256

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O
InChIInChI=1S/C25H28N4O3S/c30-23-18(24(31)26-14-22-27-20-10-4-5-11-21(20)33-22)15-29(17-8-2-3-9-17)16-19(23)25(32)28-12-6-1-7-13-28/h4-5,10-11,15-17H,1-3,6-9,12-14H2,(H,26,31)
InChIKeyQFVXTCXUEUYZIP-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.13
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 26323256) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID26323256
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O
InChIInChI=1S/C25H28N4O3S/c30-23-18(24(31)26-14-22-27-20-10-4-5-11-21(20)33-22)15-29(17-8-2-3-9-17)16-19(23)25(32)28-12-6-1-7-13-28/h4-5,10-11,15-17H,1-3,6-9,12-14H2,(H,26,31)
InChIKeyQFVXTCXUEUYZIP-UHFFFAOYSA-N
XLogP4.13
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42499907
1-(1,3-benzothiazol-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 55698261
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,3-benzothiazol-2-ylmethyl)urea
CID 100836004
(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977455
N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2R)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42369162
N-(1,3-benzothiazol-2-ylmethyl)-6-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42369168
N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597428
N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide
CID 43003046
(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
CID 103808102
1-N-(1,3-benzothiazol-2-ylmethyl)-4-N-phenylpiperidine-1,4-dicarboxamide
CID 36900031
tert-butyl 4-(1,3-benzothiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 38284389

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide (CID 26323256) is N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide is O=C(NCc1nc2ccccc2s1)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is QFVXTCXUEUYZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c30-23-18(24(31)26-14-22-27-20-10-4-5-11-21(20)33-22)15-29(17-8-2-3-9-17)16-19(23)25(32)28-12-6-1-7-13-28/h4-5,10-11,15-17H,1-3,6-9,12-14H2,(H,26,31).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 26323256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).