N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide

C23H26N4O3S — CID 56566905

IUPACN-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)CCC(=O)N2CCSc3ccccc32)CC1)c1cccnc1
InChIInChI=1S/C23H26N4O3S/c28-21(7-8-22(29)27-14-15-31-20-6-2-1-5-19(20)27)26-12-9-18(10-13-26)25-23(30)17-4-3-11-24-16-17/h1-6,11,16,18H,7-10,12-15H2,(H,25,30)
InChIKeyOGVXUHFOJNPEJX-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.72
Rot. Bonds5

About N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide

N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 56566905) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID56566905
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)CCC(=O)N2CCSc3ccccc32)CC1)c1cccnc1
InChIInChI=1S/C23H26N4O3S/c28-21(7-8-22(29)27-14-15-31-20-6-2-1-5-19(20)27)26-12-9-18(10-13-26)25-23(30)17-4-3-11-24-16-17/h1-6,11,16,18H,7-10,12-15H2,(H,25,30)
InChIKeyOGVXUHFOJNPEJX-UHFFFAOYSA-N
XLogP2.72
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 110822080
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47076419
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836676
N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 56565021
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548470
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836658
N-[1-(benzylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47836760
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
N-[1-[2-(3-bromophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924895
N-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924893

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide (CID 56566905) is N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(C(=O)CCC(=O)N2CCSc3ccccc32)CC1)c1cccnc1.
What is the InChIKey of N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is OGVXUHFOJNPEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c28-21(7-8-22(29)27-14-15-31-20-6-2-1-5-19(20)27)26-12-9-18(10-13-26)25-23(30)17-4-3-11-24-16-17/h1-6,11,16,18H,7-10,12-15H2,(H,25,30).
What are the key properties of N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanoyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 56566905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).