N-(5-chloro-2-pyridinyl)-2-[[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3-pyridinyl]benzoyl]amino]-3-hydroxybenzamide

C28H26ClN5O4 — CID 16666746

About N-(5-chloro-2-pyridinyl)-2-[[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3-pyridinyl]benzoyl]amino]-3-hydroxybenzamide

N-(5-chloro-2-pyridinyl)-2-[[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3-pyridinyl]benzoyl]amino]-3-hydroxybenzamide (PubChem CID 16666746) has the molecular formula C28H26ClN5O4 and a molecular weight of 532.00 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3-pyridinyl]benzoyl]amino]-3-hydroxybenzamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-2-[[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3-pyridinyl]benzoyl]amino]-3-hydroxybenzamide
• PubChem CID: 16666746
• Molecular Formula: C28H26ClN5O4
• Molecular Weight: 532.00 g/mol
• Exact Mass: 531.17
• IUPAC Name: N-(5-chloro-2-pyridinyl)-2-[[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3-pyridinyl]benzoyl]amino]-3-hydroxybenzamide
• SMILES: CN(C)CCn1cccc(-c2ccc(C(=O)Nc3c(O)cccc3C(=O)Nc3ccc(Cl)cn3)cc2)c1=O
• InChI: InChI=1S/C28H26ClN5O4/c1-33(2)15-16-34-14-4-6-21(28(34)38)18-8-10-19(11-9-18)26(36)32-25-22(5-3-7-23(25)35)27(37)31-24-13-12-20(29)17-30-24/h3-14,17,35H,15-16H2,1-2H3,(H,32,36)(H,30,31,37)
• InChIKey: SEWXZNAVXSBHRB-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 116.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.00
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3-pyridinyl]benzoyl]amino]-3-hydroxybenzamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3-pyridinyl]benzoyl]amino]-3-hydroxybenzamide (CID 16666746) is N-(5-chloro-2-pyridinyl)-2-[[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3-pyridinyl]benzoyl]amino]-3-hydroxybenzamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3-pyridinyl]benzoyl]amino]-3-hydroxybenzamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3-pyridinyl]benzoyl]amino]-3-hydroxybenzamide is CN(C)CCn1cccc(-c2ccc(C(=O)Nc3c(O)cccc3C(=O)Nc3ccc(Cl)cn3)cc2)c1=O.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3-pyridinyl]benzoyl]amino]-3-hydroxybenzamide?

The InChIKey is SEWXZNAVXSBHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O4/c1-33(2)15-16-34-14-4-6-21(28(34)38)18-8-10-19(11-9-18)26(36)32-25-22(5-3-7-23(25)35)27(37)31-24-13-12-20(29)17-30-24/h3-14,17,35H,15-16H2,1-2H3,(H,32,36)(H,30,31,37).

What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3-pyridinyl]benzoyl]amino]-3-hydroxybenzamide?

N-(5-chloro-2-pyridinyl)-2-[[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3-pyridinyl]benzoyl]amino]-3-hydroxybenzamide has a molecular weight of 532.00 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-2-[[4-[1-[2-(dimethylamino)ethyl]-2-oxo-3-pyridinyl]benzoyl]amino]-3-hydroxybenzamide is sourced from PubChem (CID 16666746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).