1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride

C30H26Cl2N6O4 — CID 118558319

About 1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride

1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride (PubChem CID 118558319) has the molecular formula C30H26Cl2N6O4 and a molecular weight of 605.48 g/mol. Its IUPAC name is 1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride
• PubChem CID: 118558319
• Molecular Formula: C30H26Cl2N6O4
• Molecular Weight: 605.48 g/mol
• Exact Mass: 604.14
• IUPAC Name: 1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride
• SMILES: Cl.NNC(=O)c1cc(-c2ccc(C#Cc3ccc(C(=O)N4CCCCC4C(=O)NO)cc3Cl)cc2)nc2ccncc12
• InChI: InChI=1S/C30H25ClN6O4.ClH/c31-24-15-21(30(40)37-14-2-1-3-27(37)29(39)36-41)11-10-19(24)7-4-18-5-8-20(9-6-18)26-16-22(28(38)35-32)23-17-33-13-12-25(23)34-26;/h5-6,8-13,15-17,27,41H,1-3,14,32H2,(H,35,38)(H,36,39);1H
• InChIKey: ZJFRWYBXIYEKCY-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 150.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.48
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	4
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': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride?

The IUPAC name of 1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride (CID 118558319) is 1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride.

What is the SMILES notation for 1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride?

The canonical SMILES for 1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride is Cl.NNC(=O)c1cc(-c2ccc(C#Cc3ccc(C(=O)N4CCCCC4C(=O)NO)cc3Cl)cc2)nc2ccncc12.

What is the InChIKey of 1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride?

The InChIKey is ZJFRWYBXIYEKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN6O4.ClH/c31-24-15-21(30(40)37-14-2-1-3-27(37)29(39)36-41)11-10-19(24)7-4-18-5-8-20(9-6-18)26-16-22(28(38)35-32)23-17-33-13-12-25(23)34-26;/h5-6,8-13,15-17,27,41H,1-3,14,32H2,(H,35,38)(H,36,39);1H.

What are the key properties of 1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride?

1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride has a molecular weight of 605.48 g/mol, XLogP of 3.88, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-4-[2-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]ethynyl]benzoyl]-N-hydroxypiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 118558319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).