5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid

C50H54Cl2F2N8O5 — CID 159179567

About 5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid

5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid (PubChem CID 159179567) has the molecular formula C50H54Cl2F2N8O5 and a molecular weight of 955.93 g/mol. Its IUPAC name is 5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid
• PubChem CID: 159179567
• Molecular Formula: C50H54Cl2F2N8O5
• Molecular Weight: 955.93 g/mol
• Exact Mass: 954.36
• IUPAC Name: 5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid
• SMILES: CC(=O)CCCN.CC(=O)CCCNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C(C)C.CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)O
• InChI: InChI=1S/C25H26ClFN4O2.C20H17ClFN3O2.C5H11NO/c1-15(2)19-14-30-23(18-11-17(26)6-7-21(18)27)12-24(19)31-22-8-10-28-13-20(22)25(33)29-9-4-5-16(3)32;1-11(2)14-10-24-18(13-7-12(21)3-4-16(13)22)8-19(14)25-17-5-6-23-9-15(17)20(26)27;1-5(7)3-2-4-6/h6-8,10-15H,4-5,9H2,1-3H3,(H,29,33)(H,28,30,31);3-11H,1-2H3,(H,26,27)(H,23,24,25);2-4,6H2,1H3
• InChIKey: KMSDBHYNINWNEJ-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 202.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	955.93
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid?

The IUPAC name of 5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid (CID 159179567) is 5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid?

The canonical SMILES for 5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid is CC(=O)CCCN.CC(=O)CCCNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1C(C)C.CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)O.

What is the InChIKey of 5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid?

The InChIKey is KMSDBHYNINWNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4O2.C20H17ClFN3O2.C5H11NO/c1-15(2)19-14-30-23(18-11-17(26)6-7-21(18)27)12-24(19)31-22-8-10-28-13-20(22)25(33)29-9-4-5-16(3)32;1-11(2)14-10-24-18(13-7-12(21)3-4-16(13)22)8-19(14)25-17-5-6-23-9-15(17)20(26)27;1-5(7)3-2-4-6/h6-8,10-15H,4-5,9H2,1-3H3,(H,29,33)(H,28,30,31);3-11H,1-2H3,(H,26,27)(H,23,24,25);2-4,6H2,1H3.

What are the key properties of 5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid?

5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid has a molecular weight of 955.93 g/mol, XLogP of 11.72, 17 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-aminopentan-2-one;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-N-(4-oxopentyl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 159179567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).