N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide

C26H30N6O5S — CID 59367615

About N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide (PubChem CID 59367615) has the molecular formula C26H30N6O5S and a molecular weight of 538.63 g/mol. Its IUPAC name is N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
• PubChem CID: 59367615
• Molecular Formula: C26H30N6O5S
• Molecular Weight: 538.63 g/mol
• Exact Mass: 538.20
• IUPAC Name: N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
• SMILES: O=C(NO)c1cnc(N2CC3C(C2)C3N(CCN2CCOCC2)S(=O)(=O)c2ccc3ccccc3c2)nc1
• InChI: InChI=1S/C26H30N6O5S/c33-25(29-34)20-14-27-26(28-15-20)31-16-22-23(17-31)24(22)32(8-7-30-9-11-37-12-10-30)38(35,36)21-6-5-18-3-1-2-4-19(18)13-21/h1-6,13-15,22-24,34H,7-12,16-17H2,(H,29,33)
• InChIKey: JCTUTDLWFPDTQP-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 128.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.63
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'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 N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?

The IUPAC name of N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide (CID 59367615) is N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?

The canonical SMILES for N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CC3C(C2)C3N(CCN2CCOCC2)S(=O)(=O)c2ccc3ccccc3c2)nc1.

What is the InChIKey of N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?

The InChIKey is JCTUTDLWFPDTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O5S/c33-25(29-34)20-14-27-26(28-15-20)31-16-22-23(17-31)24(22)32(8-7-30-9-11-37-12-10-30)38(35,36)21-6-5-18-3-1-2-4-19(18)13-21/h1-6,13-15,22-24,34H,7-12,16-17H2,(H,29,33).

What are the key properties of N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide?

N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide has a molecular weight of 538.63 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-2-[6-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 59367615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).