6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide

C26H23ClN4O3S — CID 118146951

IUPAC6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc4[nH]c(=O)sc4c3)CC2)cc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C26H23ClN4O3S/c1-15-2-3-18(12-21(15)29-24(32)19-5-7-23(27)28-14-19)25(33)31-10-8-16(9-11-31)17-4-6-20-22(13-17)35-26(34)30-20/h2-7,12-14,16H,8-11H2,1H3,(H,29,32)(H,30,34)
InChIKeyFFYKTPQKHCPPMO-UHFFFAOYSA-N
MW507.02 g/mol
LogP5.22
Rot. Bonds4

About 6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide

6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide (PubChem CID 118146951) has the molecular formula C26H23ClN4O3S and a molecular weight of 507.02 g/mol. Its IUPAC name is 6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
PubChem CID118146951
Molecular FormulaC26H23ClN4O3S
Molecular Weight507.02 g/mol
Exact Mass506.12
IUPAC Name6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc4[nH]c(=O)sc4c3)CC2)cc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C26H23ClN4O3S/c1-15-2-3-18(12-21(15)29-24(32)19-5-7-23(27)28-14-19)25(33)31-10-8-16(9-11-31)17-4-6-20-22(13-17)35-26(34)30-20/h2-7,12-14,16H,8-11H2,1H3,(H,29,32)(H,30,34)
InChIKeyFFYKTPQKHCPPMO-UHFFFAOYSA-N
XLogP5.22
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.02
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118144180
2-bromo-5-methoxy-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]benzamide;6-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
CID 87727731
6-chloro-N-[5-[6-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2-methylphenyl]pyridine-3-carboxamide
CID 86672527
N-[5-[4-(1,3-benzothiazol-6-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide
CID 158708271
5-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-2,5-dicarboxamide
CID 69165329
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 69188440
6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118646006
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide
CID 69166817
N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 89272958
N-[5-[4-(2,3-dimethyl-1-oxo-3H-isoindol-5-yl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 118144210
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide
CID 69166223
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 6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide (CID 118146951) is 6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc4[nH]c(=O)sc4c3)CC2)cc1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The InChIKey is FFYKTPQKHCPPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3S/c1-15-2-3-18(12-21(15)29-24(32)19-5-7-23(27)28-14-19)25(33)31-10-8-16(9-11-31)17-4-6-20-22(13-17)35-26(34)30-20/h2-7,12-14,16H,8-11H2,1H3,(H,29,32)(H,30,34).
What are the key properties of 6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide has a molecular weight of 507.02 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-methyl-5-[4-(2-oxo-3H-1,3-benzothiazol-6-yl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118146951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).