6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-[(5-methyl-4H-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide

C27H33N5O3S — CID 163649963

About 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-[(5-methyl-4H-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide

6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-[(5-methyl-4H-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 163649963) has the molecular formula C27H33N5O3S and a molecular weight of 507.66 g/mol. Its IUPAC name is 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-[(5-methyl-4H-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-[(5-methyl-4H-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
• PubChem CID: 163649963
• Molecular Formula: C27H33N5O3S
• Molecular Weight: 507.66 g/mol
• Exact Mass: 507.23
• IUPAC Name: 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-[(5-methyl-4H-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
• SMILES: CC(C)N1CCC2(CC1)Oc1ccc(-c3ccc(C(=O)NCC4(C)CN=CS4)cn3)cc1C(=O)N2C
• InChI: InChI=1S/C27H33N5O3S/c1-18(2)32-11-9-27(10-12-32)31(4)25(34)21-13-19(6-8-23(21)35-27)22-7-5-20(14-29-22)24(33)30-16-26(3)15-28-17-36-26/h5-8,13-14,17-18H,9-12,15-16H2,1-4H3,(H,30,33)
• InChIKey: ILKUDOSJYWSUIM-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 87.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.66
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-[(5-methyl-4H-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?

The IUPAC name of 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-[(5-methyl-4H-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide (CID 163649963) is 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-[(5-methyl-4H-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-[(5-methyl-4H-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-[(5-methyl-4H-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide is CC(C)N1CCC2(CC1)Oc1ccc(-c3ccc(C(=O)NCC4(C)CN=CS4)cn3)cc1C(=O)N2C.

What is the InChIKey of 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-[(5-methyl-4H-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?

The InChIKey is ILKUDOSJYWSUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3S/c1-18(2)32-11-9-27(10-12-32)31(4)25(34)21-13-19(6-8-23(21)35-27)22-7-5-20(14-29-22)24(33)30-16-26(3)15-28-17-36-26/h5-8,13-14,17-18H,9-12,15-16H2,1-4H3,(H,30,33).

What are the key properties of 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-[(5-methyl-4H-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide?

6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-[(5-methyl-4H-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 507.66 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-[(5-methyl-4H-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 163649963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).