6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide

C22H22ClN3O2S — CID 71093651

IUPAC6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(C2CCCO2)c(-c2cccc(Cl)c2)n1)c1nccs1
InChIInChI=1S/C22H22ClN3O2S/c1-22(2,21-24-10-12-29-21)26-20(27)17-9-8-16(18-7-4-11-28-18)19(25-17)14-5-3-6-15(23)13-14/h3,5-6,8-10,12-13,18H,4,7,11H2,1-2H3,(H,26,27)
InChIKeyMSJVKYZIKNZKMC-UHFFFAOYSA-N
MW427.96 g/mol
LogP5.38
Rot. Bonds5

About 6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide

6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 71093651) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
PubChem CID71093651
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC Name6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(C2CCCO2)c(-c2cccc(Cl)c2)n1)c1nccs1
InChIInChI=1S/C22H22ClN3O2S/c1-22(2,21-24-10-12-29-21)26-20(27)17-9-8-16(18-7-4-11-28-18)19(25-17)14-5-3-6-15(23)13-14/h3,5-6,8-10,12-13,18H,4,7,11H2,1-2H3,(H,26,27)
InChIKeyMSJVKYZIKNZKMC-UHFFFAOYSA-N
XLogP5.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.96
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (CID 71093651) is 6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is CC(C)(NC(=O)c1ccc(C2CCCO2)c(-c2cccc(Cl)c2)n1)c1nccs1.
What is the InChIKey of 6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is MSJVKYZIKNZKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c1-22(2,21-24-10-12-29-21)26-20(27)17-9-8-16(18-7-4-11-28-18)19(25-17)14-5-3-6-15(23)13-14/h3,5-6,8-10,12-13,18H,4,7,11H2,1-2H3,(H,26,27).
What are the key properties of 6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 427.96 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-5-(oxolan-2-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71093651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).