N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C122H110F11N11O22S — CID 157253421

About N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 157253421) has the molecular formula C122H110F11N11O22S and a molecular weight of 2323.32 g/mol. Its IUPAC name is N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 157253421
• Molecular Formula: C122H110F11N11O22S
• Molecular Weight: 2323.32 g/mol
• Exact Mass: 2321.74
• IUPAC Name: N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: COCc1cc(C2(C(=O)Nc3cccc(-c4ccc(S(=O)(=O)N5CCC[C@@H]5CO)cc4)n3)CC2)ccc1OC.Cc1cc(C(=O)O)ccc1-c1nc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)ccc1C(F)(F)F.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(F)c(C(=O)O)c1.O=C(Nc1cccc(C2=CCCCC2)n1)C1(c2ccccc2)CC1.O=C(O)c1cc(F)cc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)c1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C29H33N3O6S.C25H17F5N2O5.C24H17F3N2O5.C23H15F3N2O5.C21H22N2O.3H2/c1-37-19-21-17-22(10-13-26(21)38-2)29(14-15-29)28(34)31-27-7-3-6-25(30-27)20-8-11-24(12-9-20)39(35,36)32-16-4-5-23(32)18-33;1-12-10-13(21(33)34)2-4-15(12)20-16(24(26,27)28)5-7-19(31-20)32-22(35)23(8-9-23)14-3-6-17-18(11-14)37-25(29,30)36-17;1-12-2-7-19(28-20(12)13-3-5-16(25)15(10-13)21(30)31)29-22(32)23(8-9-23)14-4-6-17-18(11-14)34-24(26,27)33-17;24-15-9-12(8-13(10-15)20(29)30)16-2-1-3-19(27-16)28-21(31)22(6-7-22)14-4-5-17-18(11-14)33-23(25,26)32-17;24-20(21(14-15-21)17-10-5-2-6-11-17)23-19-13-7-12-18(22-19)16-8-3-1-4-9-16;;;/h3,6-13,17,23,33H,4-5,14-16,18-19H2,1-2H3,(H,30,31,34);2-7,10-11H,8-9H2,1H3,(H,33,34)(H,31,32,35);2-7,10-11H,8-9H2,1H3,(H,30,31)(H,28,29,32);1-5,8-11H,6-7H2,(H,29,30)(H,27,28,31);2,5-8,10-13H,1,3-4,9,14-15H2,(H,22,23,24);3*1H/t23-;;;;;;;/m1......./s1
• InChIKey: AWPFRVULBVHMAI-ABPABJMNSA-N
• XLogP: 24.40
• TPSA: 453.30 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2323.32
LogP ≤ 5	24.40
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 157253421) is N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is COCc1cc(C2(C(=O)Nc3cccc(-c4ccc(S(=O)(=O)N5CCC[C@@H]5CO)cc4)n3)CC2)ccc1OC.Cc1cc(C(=O)O)ccc1-c1nc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)ccc1C(F)(F)F.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(F)c(C(=O)O)c1.O=C(Nc1cccc(C2=CCCCC2)n1)C1(c2ccccc2)CC1.O=C(O)c1cc(F)cc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)c1.[H][H].[H][H].[H][H].

What is the InChIKey of N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is AWPFRVULBVHMAI-ABPABJMNSA-N. The full InChI is InChI=1S/C29H33N3O6S.C25H17F5N2O5.C24H17F3N2O5.C23H15F3N2O5.C21H22N2O.3H2/c1-37-19-21-17-22(10-13-26(21)38-2)29(14-15-29)28(34)31-27-7-3-6-25(30-27)20-8-11-24(12-9-20)39(35,36)32-16-4-5-23(32)18-33;1-12-10-13(21(33)34)2-4-15(12)20-16(24(26,27)28)5-7-19(31-20)32-22(35)23(8-9-23)14-3-6-17-18(11-14)37-25(29,30)36-17;1-12-2-7-19(28-20(12)13-3-5-16(25)15(10-13)21(30)31)29-22(32)23(8-9-23)14-4-6-17-18(11-14)34-24(26,27)33-17;24-15-9-12(8-13(10-15)20(29)30)16-2-1-3-19(27-16)28-21(31)22(6-7-22)14-4-5-17-18(11-14)33-23(25,26)32-17;24-20(21(14-15-21)17-10-5-2-6-11-17)23-19-13-7-12-18(22-19)16-8-3-1-4-9-16;;;/h3,6-13,17,23,33H,4-5,14-16,18-19H2,1-2H3,(H,30,31,34);2-7,10-11H,8-9H2,1H3,(H,33,34)(H,31,32,35);2-7,10-11H,8-9H2,1H3,(H,30,31)(H,28,29,32);1-5,8-11H,6-7H2,(H,29,30)(H,27,28,31);2,5-8,10-13H,1,3-4,9,14-15H2,(H,22,23,24);3*1H/t23-;;;;;;;/m1......./s1.

What are the key properties of N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2323.32 g/mol, XLogP of 24.40, 29 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(cyclohexen-1-yl)-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide;5-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-fluorobenzoic acid;3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-5-fluorobenzoic acid;4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-3-methylbenzoic acid;N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157253421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).