2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide

C26H25N5O4S — CID 77106094

About 2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide

2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide (PubChem CID 77106094) has the molecular formula C26H25N5O4S and a molecular weight of 503.58 g/mol. Its IUPAC name is 2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide.

Molecular Properties

• Compound Name: 2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
• PubChem CID: 77106094
• Molecular Formula: C26H25N5O4S
• Molecular Weight: 503.58 g/mol
• Exact Mass: 503.16
• IUPAC Name: 2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
• SMILES: NNC(=O)c1cc(-c2ccc(-c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)nc2ccncc12
• InChI: InChI=1S/C26H25N5O4S/c27-30-26(32)22-15-25(29-24-9-10-28-16-23(22)24)21-7-5-20(6-8-21)19-3-1-18(2-4-19)17-36(33,34)31-11-13-35-14-12-31/h1-10,15-16H,11-14,17,27H2,(H,30,32)
• InChIKey: ZQCOYCKSDOAAQY-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.58
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide?

The IUPAC name of 2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide (CID 77106094) is 2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide.

What is the SMILES notation for 2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide?

The canonical SMILES for 2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide is NNC(=O)c1cc(-c2ccc(-c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)nc2ccncc12.

What is the InChIKey of 2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide?

The InChIKey is ZQCOYCKSDOAAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4S/c27-30-26(32)22-15-25(29-24-9-10-28-16-23(22)24)21-7-5-20(6-8-21)19-3-1-18(2-4-19)17-36(33,34)31-11-13-35-14-12-31/h1-10,15-16H,11-14,17,27H2,(H,30,32).

What are the key properties of 2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide?

2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide has a molecular weight of 503.58 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(morpholin-4-ylsulfonylmethyl)phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide is sourced from PubChem (CID 77106094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).