2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid

C25H22ClN3O4 — CID 69240310

About 2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid

2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 69240310) has the molecular formula C25H22ClN3O4 and a molecular weight of 463.92 g/mol. Its IUPAC name is 2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: 2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid
• PubChem CID: 69240310
• Molecular Formula: C25H22ClN3O4
• Molecular Weight: 463.92 g/mol
• Exact Mass: 463.13
• IUPAC Name: 2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid
• SMILES: O=C(Nc1ccc(-c2ccc(C(=O)C3CCCC3C(=O)O)nc2)cc1)Nc1cccc(Cl)c1
• InChI: InChI=1S/C25H22ClN3O4/c26-17-3-1-4-19(13-17)29-25(33)28-18-10-7-15(8-11-18)16-9-12-22(27-14-16)23(30)20-5-2-6-21(20)24(31)32/h1,3-4,7-14,20-21H,2,5-6H2,(H,31,32)(H2,28,29,33)
• InChIKey: RZMVAPDGVBDWJV-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 108.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.92
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid?

The IUPAC name of 2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid (CID 69240310) is 2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid.

What is the SMILES notation for 2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid?

The canonical SMILES for 2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid is O=C(Nc1ccc(-c2ccc(C(=O)C3CCCC3C(=O)O)nc2)cc1)Nc1cccc(Cl)c1.

What is the InChIKey of 2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid?

The InChIKey is RZMVAPDGVBDWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O4/c26-17-3-1-4-19(13-17)29-25(33)28-18-10-7-15(8-11-18)16-9-12-22(27-14-16)23(30)20-5-2-6-21(20)24(31)32/h1,3-4,7-14,20-21H,2,5-6H2,(H,31,32)(H2,28,29,33).

What are the key properties of 2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid?

2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 463.92 g/mol, XLogP of 5.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 69240310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).