6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

C22H18ClF4N5O3S — CID 15949997

IUPAC6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ncc(C(=O)Nc3nc(-c4cccc(OC(F)(F)F)c4F)cs3)cc2Cl)C1
InChIInChI=1S/C22H18ClF4N5O3S/c23-14-7-12(8-29-19(14)32-6-2-3-11(9-32)18(28)33)20(34)31-21-30-15(10-36-21)13-4-1-5-16(17(13)24)35-22(25,26)27/h1,4-5,7-8,10-11H,2-3,6,9H2,(H2,28,33)(H,30,31,34)
InChIKeySJYINASBZKPWOK-UHFFFAOYSA-N
MW543.93 g/mol
LogP4.85
Rot. Bonds6

About 6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 15949997) has the molecular formula C22H18ClF4N5O3S and a molecular weight of 543.93 g/mol. Its IUPAC name is 6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID15949997
Molecular FormulaC22H18ClF4N5O3S
Molecular Weight543.93 g/mol
Exact Mass543.08
IUPAC Name6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ncc(C(=O)Nc3nc(-c4cccc(OC(F)(F)F)c4F)cs3)cc2Cl)C1
InChIInChI=1S/C22H18ClF4N5O3S/c23-14-7-12(8-29-19(14)32-6-2-3-11(9-32)18(28)33)20(34)31-21-30-15(10-36-21)13-4-1-5-16(17(13)24)35-22(25,26)27/h1,4-5,7-8,10-11H,2-3,6,9H2,(H2,28,33)(H,30,31,34)
InChIKeySJYINASBZKPWOK-UHFFFAOYSA-N
XLogP4.85
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.93
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-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

Frequently Asked Questions

What is the IUPAC name of 6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 15949997) is 6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is NC(=O)C1CCCN(c2ncc(C(=O)Nc3nc(-c4cccc(OC(F)(F)F)c4F)cs3)cc2Cl)C1.
What is the InChIKey of 6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is SJYINASBZKPWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF4N5O3S/c23-14-7-12(8-29-19(14)32-6-2-3-11(9-32)18(28)33)20(34)31-21-30-15(10-36-21)13-4-1-5-16(17(13)24)35-22(25,26)27/h1,4-5,7-8,10-11H,2-3,6,9H2,(H2,28,33)(H,30,31,34).
What are the key properties of 6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide?
6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 543.93 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 15949997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).