N-methyl-N-[10-propan-2-yl-4-[(6-sulfamoyl-3-pyridinyl)amino]spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-12-yl]acetamide

C24H31N9O3S — CID 162360048

About N-methyl-N-[10-propan-2-yl-4-[(6-sulfamoyl-3-pyridinyl)amino]spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-12-yl]acetamide

N-methyl-N-[10-propan-2-yl-4-[(6-sulfamoyl-3-pyridinyl)amino]spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-12-yl]acetamide (PubChem CID 162360048) has the molecular formula C24H31N9O3S and a molecular weight of 525.64 g/mol. Its IUPAC name is N-methyl-N-[10-propan-2-yl-4-[(6-sulfamoyl-3-pyridinyl)amino]spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-12-yl]acetamide.

Molecular Properties

• Compound Name: N-methyl-N-[10-propan-2-yl-4-[(6-sulfamoyl-3-pyridinyl)amino]spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-12-yl]acetamide
• PubChem CID: 162360048
• Molecular Formula: C24H31N9O3S
• Molecular Weight: 525.64 g/mol
• Exact Mass: 525.23
• IUPAC Name: N-methyl-N-[10-propan-2-yl-4-[(6-sulfamoyl-3-pyridinyl)amino]spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-12-yl]acetamide
• SMILES: CC(=O)N(C)C1=NN(C(C)C)c2cc3cnc(Nc4ccc(S(N)(=O)=O)nc4)nc3n2C12CCCCC2
• InChI: InChI=1S/C24H31N9O3S/c1-15(2)33-20-12-17-13-27-23(28-18-8-9-19(26-14-18)37(25,35)36)29-21(17)32(20)24(10-6-5-7-11-24)22(30-33)31(4)16(3)34/h8-9,12-15H,5-7,10-11H2,1-4H3,(H2,25,35,36)(H,27,28,29)
• InChIKey: CAMVAPIAPKHJFL-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 151.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.64
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[10-propan-2-yl-4-[(6-sulfamoyl-3-pyridinyl)amino]spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-12-yl]acetamide?

The IUPAC name of N-methyl-N-[10-propan-2-yl-4-[(6-sulfamoyl-3-pyridinyl)amino]spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-12-yl]acetamide (CID 162360048) is N-methyl-N-[10-propan-2-yl-4-[(6-sulfamoyl-3-pyridinyl)amino]spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-12-yl]acetamide.

What is the SMILES notation for N-methyl-N-[10-propan-2-yl-4-[(6-sulfamoyl-3-pyridinyl)amino]spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-12-yl]acetamide?

The canonical SMILES for N-methyl-N-[10-propan-2-yl-4-[(6-sulfamoyl-3-pyridinyl)amino]spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-12-yl]acetamide is CC(=O)N(C)C1=NN(C(C)C)c2cc3cnc(Nc4ccc(S(N)(=O)=O)nc4)nc3n2C12CCCCC2.

What is the InChIKey of N-methyl-N-[10-propan-2-yl-4-[(6-sulfamoyl-3-pyridinyl)amino]spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-12-yl]acetamide?

The InChIKey is CAMVAPIAPKHJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N9O3S/c1-15(2)33-20-12-17-13-27-23(28-18-8-9-19(26-14-18)37(25,35)36)29-21(17)32(20)24(10-6-5-7-11-24)22(30-33)31(4)16(3)34/h8-9,12-15H,5-7,10-11H2,1-4H3,(H2,25,35,36)(H,27,28,29).

What are the key properties of N-methyl-N-[10-propan-2-yl-4-[(6-sulfamoyl-3-pyridinyl)amino]spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-12-yl]acetamide?

N-methyl-N-[10-propan-2-yl-4-[(6-sulfamoyl-3-pyridinyl)amino]spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-12-yl]acetamide has a molecular weight of 525.64 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[10-propan-2-yl-4-[(6-sulfamoyl-3-pyridinyl)amino]spiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8,11-pentaene-13,1'-cyclohexane]-12-yl]acetamide is sourced from PubChem (CID 162360048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).