N-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide

C30H32N4O2S — CID 158708271

IUPACN-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc4ncsc4c3)CC2)cc1NC(=O)c1ccc(CC(C)C)nc1
InChIInChI=1S/C30H32N4O2S/c1-19(2)14-25-8-6-24(17-31-25)29(35)33-27-15-23(5-4-20(27)3)30(36)34-12-10-21(11-13-34)22-7-9-26-28(16-22)37-18-32-26/h4-9,15-19,21H,10-14H2,1-3H3,(H,33,35)
InChIKeyIIJYQOVKCQENQY-UHFFFAOYSA-N
MW512.68 g/mol
LogP6.47
Rot. Bonds6

About N-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide

N-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 158708271) has the molecular formula C30H32N4O2S and a molecular weight of 512.68 g/mol. Its IUPAC name is N-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID158708271
Molecular FormulaC30H32N4O2S
Molecular Weight512.68 g/mol
Exact Mass512.22
IUPAC NameN-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc4ncsc4c3)CC2)cc1NC(=O)c1ccc(CC(C)C)nc1
InChIInChI=1S/C30H32N4O2S/c1-19(2)14-25-8-6-24(17-31-25)29(35)33-27-15-23(5-4-20(27)3)30(36)34-12-10-21(11-13-34)22-7-9-26-28(16-22)37-18-32-26/h4-9,15-19,21H,10-14H2,1-3H3,(H,33,35)
InChIKeyIIJYQOVKCQENQY-UHFFFAOYSA-N
XLogP6.47
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.68
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)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-[5-[4-(4-cyanophenyl)azepane-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide
CID 148998504
N-[2-methyl-5-[4-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(2-methylpropyl)pyridine-3-carboxamide
CID 159153204
5-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-2,5-dicarboxamide
CID 69165329
6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118146951
N-[2-methyl-5-[4-(4-thiophen-2-ylphenyl)piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118645983
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide
CID 69166223
N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 89272958
6-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide
CID 158671350
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 69188440
N-[2-methyl-5-[4-[4-(2-methylphenyl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118146742
N-[5-[4-[4-(furan-3-yl)phenyl]piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118144237
6-(dimethylamino)-N-[2-methyl-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118646018

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide (CID 158708271) is N-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc4ncsc4c3)CC2)cc1NC(=O)c1ccc(CC(C)C)nc1.
What is the InChIKey of N-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is IIJYQOVKCQENQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2S/c1-19(2)14-25-8-6-24(17-31-25)29(35)33-27-15-23(5-4-20(27)3)30(36)34-12-10-21(11-13-34)22-7-9-26-28(16-22)37-18-32-26/h4-9,15-19,21H,10-14H2,1-3H3,(H,33,35).
What are the key properties of N-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide?
N-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 512.68 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 158708271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).