N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopent-3-ene-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]morpholine-4-carboxamide;methyl 2-[[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]amino]-2-oxoacetate

C104H82Cl6F12N14O21 — CID 158408779

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopent-3-ene-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]morpholine-4-carboxamide;methyl 2-[[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]amino]-2-oxoacetate

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopent-3-ene-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]morpholine-4-carboxamide;methyl 2-[[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]amino]-2-oxoacetate (PubChem CID 158408779) has the molecular formula C104H82Cl6F12N14O21 and a molecular weight of 2304.57 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopent-3-ene-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]morpholine-4-carboxamide;methyl 2-[[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]amino]-2-oxoacetate.

Molecular Properties

• Compound Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopent-3-ene-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]morpholine-4-carboxamide;methyl 2-[[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]amino]-2-oxoacetate
• PubChem CID: 158408779
• Molecular Formula: C104H82Cl6F12N14O21
• Molecular Weight: 2304.57 g/mol
• Exact Mass: 2300.37
• IUPAC Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopent-3-ene-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]morpholine-4-carboxamide;methyl 2-[[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]amino]-2-oxoacetate
• SMILES: CC1CC1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC1CCCCN1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.COC(=O)C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CC=CC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCOCC1
• InChI: InChI=1S/C19H18ClF2N3O3.C18H15ClF2N2O3.C18H13ClF2N2O3.C17H14ClF2N3O4.C17H13ClF2N2O3.C15H9ClF2N2O5/c1-11-4-2-3-7-25(11)18(26)24-17-6-5-12(10-23-17)13-8-15-16(9-14(13)20)28-19(21,22)27-15;2*19-13-8-15-14(25-18(20,21)26-15)7-12(13)11-5-6-16(22-9-11)23-17(24)10-3-1-2-4-10;18-12-8-14-13(26-17(19,20)27-14)7-11(12)10-1-2-15(21-9-10)22-16(24)23-3-5-25-6-4-23;1-8-4-10(8)16(23)22-15-3-2-9(7-21-15)11-5-13-14(6-12(11)18)25-17(19,20)24-13;1-23-14(22)13(21)20-12-3-2-7(6-19-12)8-4-10-11(5-9(8)16)25-15(17,18)24-10/h5-6,8-11H,2-4,7H2,1H3,(H,23,24,26);5-10H,1-4H2,(H,22,23,24);1-2,5-10H,3-4H2,(H,22,23,24);1-2,7-9H,3-6H2,(H,21,22,24);2-3,5-8,10H,4H2,1H3,(H,21,22,23);2-6H,1H3,(H,19,20,21)
• InChIKey: GZAORFZAKFBFHP-UHFFFAOYSA-N
• XLogP: 25.35
• TPSA: 404.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2304.57
LogP ≤ 5	25.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopent-3-ene-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]morpholine-4-carboxamide;methyl 2-[[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]amino]-2-oxoacetate?

The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopent-3-ene-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]morpholine-4-carboxamide;methyl 2-[[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]amino]-2-oxoacetate (CID 158408779) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopent-3-ene-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]morpholine-4-carboxamide;methyl 2-[[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]amino]-2-oxoacetate.

What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopent-3-ene-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]morpholine-4-carboxamide;methyl 2-[[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]amino]-2-oxoacetate?

The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopent-3-ene-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]morpholine-4-carboxamide;methyl 2-[[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]amino]-2-oxoacetate is CC1CC1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC1CCCCN1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.COC(=O)C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CC=CC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)N1CCOCC1.

What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopent-3-ene-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]morpholine-4-carboxamide;methyl 2-[[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]amino]-2-oxoacetate?

The InChIKey is GZAORFZAKFBFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O3.C18H15ClF2N2O3.C18H13ClF2N2O3.C17H14ClF2N3O4.C17H13ClF2N2O3.C15H9ClF2N2O5/c1-11-4-2-3-7-25(11)18(26)24-17-6-5-12(10-23-17)13-8-15-16(9-14(13)20)28-19(21,22)27-15;2*19-13-8-15-14(25-18(20,21)26-15)7-12(13)11-5-6-16(22-9-11)23-17(24)10-3-1-2-4-10;18-12-8-14-13(26-17(19,20)27-14)7-11(12)10-1-2-15(21-9-10)22-16(24)23-3-5-25-6-4-23;1-8-4-10(8)16(23)22-15-3-2-9(7-21-15)11-5-13-14(6-12(11)18)25-17(19,20)24-13;1-23-14(22)13(21)20-12-3-2-7(6-19-12)8-4-10-11(5-9(8)16)25-15(17,18)24-10/h5-6,8-11H,2-4,7H2,1H3,(H,23,24,26);5-10H,1-4H2,(H,22,23,24);1-2,5-10H,3-4H2,(H,22,23,24);1-2,7-9H,3-6H2,(H,21,22,24);2-3,5-8,10H,4H2,1H3,(H,21,22,23);2-6H,1H3,(H,19,20,21).

What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopent-3-ene-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]morpholine-4-carboxamide;methyl 2-[[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]amino]-2-oxoacetate?

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopent-3-ene-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]morpholine-4-carboxamide;methyl 2-[[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]amino]-2-oxoacetate has a molecular weight of 2304.57 g/mol, XLogP of 25.35, 15 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopent-3-ene-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylcyclopropane-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methylpiperidine-1-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]morpholine-4-carboxamide;methyl 2-[[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]amino]-2-oxoacetate is sourced from PubChem (CID 158408779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).