N-[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide

C24H23ClN6O3S — CID 24871668

About N-[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide

N-[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide (PubChem CID 24871668) has the molecular formula C24H23ClN6O3S and a molecular weight of 511.01 g/mol. Its IUPAC name is N-[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
• PubChem CID: 24871668
• Molecular Formula: C24H23ClN6O3S
• Molecular Weight: 511.01 g/mol
• Exact Mass: 510.12
• IUPAC Name: N-[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
• SMILES: O=C1CSc2ccc(C(=O)NC3CCN(CC4Cn5c(=O)ccc6ncc(Cl)c4c65)CC3)nc2N1
• InChI: InChI=1S/C24H23ClN6O3S/c25-15-9-26-16-2-4-20(33)31-11-13(21(15)22(16)31)10-30-7-5-14(6-8-30)27-24(34)17-1-3-18-23(28-17)29-19(32)12-35-18/h1-4,9,13-14H,5-8,10-12H2,(H,27,34)(H,28,29,32)
• InChIKey: IOBZCWRXPGOJDN-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 109.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.01
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?

The IUPAC name of N-[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide (CID 24871668) is N-[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide.

What is the SMILES notation for N-[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?

The canonical SMILES for N-[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide is O=C1CSc2ccc(C(=O)NC3CCN(CC4Cn5c(=O)ccc6ncc(Cl)c4c65)CC3)nc2N1.

What is the InChIKey of N-[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?

The InChIKey is IOBZCWRXPGOJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O3S/c25-15-9-26-16-2-4-20(33)31-11-13(21(15)22(16)31)10-30-7-5-14(6-8-30)27-24(34)17-1-3-18-23(28-17)29-19(32)12-35-18/h1-4,9,13-14H,5-8,10-12H2,(H,27,34)(H,28,29,32).

What are the key properties of N-[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide?

N-[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide has a molecular weight of 511.01 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide is sourced from PubChem (CID 24871668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).