C149H129ClF3N35O29S9 — CID 160527258
N-[1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(2,3-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,5-dimethyl-2H-pyrrol-4-yl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(5-methylfuran-2-yl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-(1-quinolin-3-ylsulfonylpyrrol-3-yl)pyridine-2-carboxamide (PubChem CID 160527258) has the molecular formula C149H129ClF3N35O29S9 and a molecular weight of 3254.94 g/mol. Its IUPAC name is N-[1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(2,3-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,5-dimethyl-2H-pyrrol-4-yl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(5-methylfuran-2-yl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-(1-quinolin-3-ylsulfonylpyrrol-3-yl)pyridine-2-carboxamide.
| Compound Name | N-[1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(2,3-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,5-dimethyl-2H-pyrrol-4-yl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(5-methylfuran-2-yl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-(1-quinolin-3-ylsulfonylpyrrol-3-yl)pyridine-2-carboxamide |
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| PubChem CID | 160527258 |
| Molecular Formula | C149H129ClF3N35O29S9 |
| Molecular Weight | 3254.94 g/mol |
| Exact Mass | 3251.68 |
| IUPAC Name | N-[1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(2,3-difluoro-4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(3,5-dimethyl-2H-pyrrol-4-yl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(2-fluoro-4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-[1-(5-methylfuran-2-yl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-[(6-piperidin-1-yl-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide;N-(1-quinolin-3-ylsulfonylpyrrol-3-yl)pyridine-2-carboxamide |
| SMILES | CC1=NCC(C)=C1S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1.COc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cn1.Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c(F)c1.Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)c(F)c1F.Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)o1.Cn1cc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cn1.O=C(Nc1ccn(S(=O)(=O)c2ccc(N3CCCCC3)nc2)c1)c1ccccn1.O=C(Nc1ccn(S(=O)(=O)c2cccnc2Cl)c1)c1ccccn1.O=C(Nc1ccn(S(=O)(=O)c2cnc3ccccc3c2)c1)c1ccccn1 |
| InChI | InChI=1S/C20H21N5O3S.C19H14N4O3S.C17H13F2N3O3S.C17H14FN3O3S.C16H14N4O4S.C16H16N4O3S.C15H11ClN4O3S.C15H13N3O4S.C14H13N5O3S/c26-20(18-6-2-3-10-21-18)23-16-9-13-25(15-16)29(27,28)17-7-8-19(22-14-17)24-11-4-1-5-12-24;24-19(18-7-3-4-9-20-18)22-15-8-10-23(13-15)27(25,26)16-11-14-5-1-2-6-17(14)21-12-16;1-11-5-6-14(16(19)15(11)18)26(24,25)22-9-7-12(10-22)21-17(23)13-4-2-3-8-20-13;1-12-5-6-16(14(18)10-12)25(23,24)21-9-7-13(11-21)20-17(22)15-4-2-3-8-19-15;1-24-15-6-5-13(10-18-15)25(22,23)20-9-7-12(11-20)19-16(21)14-4-2-3-8-17-14;1-11-9-18-12(2)15(11)24(22,23)20-8-6-13(10-20)19-16(21)14-5-3-4-7-17-14;16-14-13(5-3-8-18-14)24(22,23)20-9-6-11(10-20)19-15(21)12-4-1-2-7-17-12;1-11-5-6-14(22-11)23(20,21)18-9-7-12(10-18)17-15(19)13-4-2-3-8-16-13;1-18-10-12(8-16-18)23(21,22)19-7-5-11(9-19)17-14(20)13-4-2-3-6-15-13/h2-3,6-10,13-15H,1,4-5,11-12H2,(H,23,26);1-13H,(H,22,24);2-10H,1H3,(H,21,23);2-11H,1H3,(H,20,22);2-11H,1H3,(H,19,21);3-8,10H,9H2,1-2H3,(H,19,21);1-10H,(H,19,21);2-10H,1H3,(H,17,19);2-10H,1H3,(H,17,20) |
| InChIKey | QVBLCZDEPIMEMB-UHFFFAOYSA-N |
| XLogP | 21.10 |
| TPSA | 836.89 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 55 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 226 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3254.94 |
| LogP ≤ 5 | 21.10 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 55 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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