5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C20H24N4O3S — CID 166890909

IUPAC5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(C2CCCCCC2=O)cs1)c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C20H24N4O3S/c25-18-5-3-1-2-4-15(18)17-13-28-20(22-17)23-19(26)16-7-6-14(12-21-16)24-8-10-27-11-9-24/h6-7,12-13,15H,1-5,8-11H2,(H,22,23,26)
InChIKeyGLMLHYZJKHBULW-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.24
Rot. Bonds4

About 5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 166890909) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID166890909
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(C2CCCCCC2=O)cs1)c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C20H24N4O3S/c25-18-5-3-1-2-4-15(18)17-13-28-20(22-17)23-19(26)16-7-6-14(12-21-16)24-8-10-27-11-9-24/h6-7,12-13,15H,1-5,8-11H2,(H,22,23,26)
InChIKeyGLMLHYZJKHBULW-UHFFFAOYSA-N
XLogP3.24
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 166890909) is 5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1nc(C2CCCCCC2=O)cs1)c1ccc(N2CCOCC2)cn1.
What is the InChIKey of 5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is GLMLHYZJKHBULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c25-18-5-3-1-2-4-15(18)17-13-28-20(22-17)23-19(26)16-7-6-14(12-21-16)24-8-10-27-11-9-24/h6-7,12-13,15H,1-5,8-11H2,(H,22,23,26).
What are the key properties of 5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-N-[4-(2-oxocycloheptyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 166890909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).