5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide

C28H31N5O5S — CID 167595864

About 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide

5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 167595864) has the molecular formula C28H31N5O5S and a molecular weight of 549.65 g/mol. Its IUPAC name is 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 167595864
• Molecular Formula: C28H31N5O5S
• Molecular Weight: 549.65 g/mol
• Exact Mass: 549.20
• IUPAC Name: 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide
• SMILES: C[C@@H]1CCCC[C@@H]1Nc1cnc(C(N)=O)c(Cc2csnc2-c2coc3c(=O)cc(N4CCOCC4)oc23)c1
• InChI: InChI=1S/C28H31N5O5S/c1-16-4-2-3-5-21(16)31-19-11-17(25(28(29)35)30-13-19)10-18-15-39-32-24(18)20-14-37-27-22(34)12-23(38-26(20)27)33-6-8-36-9-7-33/h11-16,21,31H,2-10H2,1H3,(H2,29,35)/t16-,21+/m1/s1
• InChIKey: SFKUWSZUWNSWOC-IERDGZPVSA-N
• XLogP: 4.42
• TPSA: 136.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.65
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide?

The IUPAC name of 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide (CID 167595864) is 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide is C[C@@H]1CCCC[C@@H]1Nc1cnc(C(N)=O)c(Cc2csnc2-c2coc3c(=O)cc(N4CCOCC4)oc23)c1.

What is the InChIKey of 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide?

The InChIKey is SFKUWSZUWNSWOC-IERDGZPVSA-N. The full InChI is InChI=1S/C28H31N5O5S/c1-16-4-2-3-5-21(16)31-19-11-17(25(28(29)35)30-13-19)10-18-15-39-32-24(18)20-14-37-27-22(34)12-23(38-26(20)27)33-6-8-36-9-7-33/h11-16,21,31H,2-10H2,1H3,(H2,29,35)/t16-,21+/m1/s1.

What are the key properties of 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide?

5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 549.65 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 167595864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).