ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide

C24H34N6O4S — CID 145477719

About ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide

ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide (PubChem CID 145477719) has the molecular formula C24H34N6O4S and a molecular weight of 502.64 g/mol. Its IUPAC name is ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide.

Molecular Properties

• Compound Name: ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide
• PubChem CID: 145477719
• Molecular Formula: C24H34N6O4S
• Molecular Weight: 502.64 g/mol
• Exact Mass: 502.24
• IUPAC Name: ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide
• SMILES: CC.CNc1nccc2c1nc(Sc1cc3c(cc1C)OCO3)n2CCNCCCCC(=O)NO
• InChI: InChI=1S/C22H28N6O4S.C2H6/c1-14-11-16-17(32-13-31-16)12-18(14)33-22-26-20-15(6-8-25-21(20)23-2)28(22)10-9-24-7-4-3-5-19(29)27-30;1-2/h6,8,11-12,24,30H,3-5,7,9-10,13H2,1-2H3,(H,23,25)(H,27,29);1-2H3
• InChIKey: WEUPDPPLOBUJMF-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 122.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.64
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide?

The IUPAC name of ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide (CID 145477719) is ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide.

What is the SMILES notation for ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide?

The canonical SMILES for ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide is CC.CNc1nccc2c1nc(Sc1cc3c(cc1C)OCO3)n2CCNCCCCC(=O)NO.

What is the InChIKey of ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide?

The InChIKey is WEUPDPPLOBUJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4S.C2H6/c1-14-11-16-17(32-13-31-16)12-18(14)33-22-26-20-15(6-8-25-21(20)23-2)28(22)10-9-24-7-4-3-5-19(29)27-30;1-2/h6,8,11-12,24,30H,3-5,7,9-10,13H2,1-2H3,(H,23,25)(H,27,29);1-2H3.

What are the key properties of ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide?

ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide has a molecular weight of 502.64 g/mol, XLogP of 3.95, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-hydroxy-5-[2-[4-(methylamino)-2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-1-yl]ethylamino]pentanamide is sourced from PubChem (CID 145477719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).