carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate

C79H76Cl3F3N5O13- — CID 161262676

About carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate

carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate (PubChem CID 161262676) has the molecular formula C79H76Cl3F3N5O13- and a molecular weight of 1466.85 g/mol. Its IUPAC name is carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate.

Molecular Properties

• Compound Name: carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate
• PubChem CID: 161262676
• Molecular Formula: C79H76Cl3F3N5O13-
• Molecular Weight: 1466.85 g/mol
• Exact Mass: 1464.45
• IUPAC Name: carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate
• SMILES: COC(=O)C1CCCC1.COC(=O)C1CCN(C(=O)c2ccc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)C1.COc1ccc(Cc2ccc(C(=O)N3CCC(C(=O)O)C3)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(C(=O)O)nc2)c(F)c1-c1cccc(Cl)c1.[CH3-]
• InChI: InChI=1S/C26H24ClFN2O4.C25H22ClFN2O4.C20H15ClFNO3.C7H12O2.CH3/c1-33-22-9-7-18(24(28)23(22)17-4-3-5-20(27)13-17)12-16-6-8-21(29-14-16)25(31)30-11-10-19(15-30)26(32)34-2;1-33-21-8-6-17(23(27)22(21)16-3-2-4-19(26)12-16)11-15-5-7-20(28-13-15)24(30)29-10-9-18(14-29)25(31)32;1-26-17-8-6-14(9-12-5-7-16(20(24)25)23-11-12)19(22)18(17)13-3-2-4-15(21)10-13;1-9-7(8)6-4-2-3-5-6;/h3-9,13-14,19H,10-12,15H2,1-2H3;2-8,12-13,18H,9-11,14H2,1H3,(H,31,32);2-8,10-11H,9H2,1H3,(H,24,25);6H,2-5H2,1H3;1H3/q;;;;-1
• InChIKey: VCTMWBGBJAFGDS-UHFFFAOYSA-N
• XLogP: 16.10
• TPSA: 234.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1466.85
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate?

The IUPAC name of carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate (CID 161262676) is carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate.

What is the SMILES notation for carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate?

The canonical SMILES for carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate is COC(=O)C1CCCC1.COC(=O)C1CCN(C(=O)c2ccc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)C1.COc1ccc(Cc2ccc(C(=O)N3CCC(C(=O)O)C3)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(C(=O)O)nc2)c(F)c1-c1cccc(Cl)c1.[CH3-].

What is the InChIKey of carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate?

The InChIKey is VCTMWBGBJAFGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN2O4.C25H22ClFN2O4.C20H15ClFNO3.C7H12O2.CH3/c1-33-22-9-7-18(24(28)23(22)17-4-3-5-20(27)13-17)12-16-6-8-21(29-14-16)25(31)30-11-10-19(15-30)26(32)34-2;1-33-21-8-6-17(23(27)22(21)16-3-2-4-19(26)12-16)11-15-5-7-20(28-13-15)24(30)29-10-9-18(14-29)25(31)32;1-26-17-8-6-14(9-12-5-7-16(20(24)25)23-11-12)19(22)18(17)13-3-2-4-15(21)10-13;1-9-7(8)6-4-2-3-5-6;/h3-9,13-14,19H,10-12,15H2,1-2H3;2-8,12-13,18H,9-11,14H2,1H3,(H,31,32);2-8,10-11H,9H2,1H3,(H,24,25);6H,2-5H2,1H3;1H3/q;;;;-1.

What are the key properties of carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate?

carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate has a molecular weight of 1466.85 g/mol, XLogP of 16.10, 18 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate is sourced from PubChem (CID 161262676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).