6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide

C109H111N25O13S2 — CID 161151909

About 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide

6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide (PubChem CID 161151909) has the molecular formula C109H111N25O13S2 and a molecular weight of 2043.38 g/mol. Its IUPAC name is 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide
• PubChem CID: 161151909
• Molecular Formula: C109H111N25O13S2
• Molecular Weight: 2043.38 g/mol
• Exact Mass: 2041.82
• IUPAC Name: 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide
• SMILES: CC(=O)c1cccc(Cc2cccc(C(=O)O)n2)n1.CC(C)c1cccc(-c2ccc(Cc3ccc(-c4cccc(C(C)C)n4)[nH]3)[nH]2)n1.Cc1cc(C(=O)O)nn1Cn1nc(C(=O)O)cc1C.NCCNCC(CN)CN.O=C(O)c1cccc(Cc2cccc(-c3ccccn3)n2)n1.O=S(=O)(NS(=O)(=O)c1cccc(-c2ccccn2)n1)c1ccccn1.c1ccc(-c2cccc(C(c3ccccn3)c3ccccn3)n2)nc1
• InChI: InChI=1S/C25H28N4.C21H16N4.C17H13N3O2.C15H12N4O4S2.C14H12N2O3.C11H12N4O4.C6H18N4/c1-16(2)20-7-5-9-22(28-20)24-13-11-18(26-24)15-19-12-14-25(27-19)23-10-6-8-21(29-23)17(3)4;1-4-13-22-16(8-1)17-11-7-12-20(25-17)21(18-9-2-5-14-23-18)19-10-3-6-15-24-19;21-17(22)16-9-4-6-13(20-16)11-12-5-3-8-15(19-12)14-7-1-2-10-18-14;20-24(21,14-8-2-4-11-17-14)19-25(22,23)15-9-5-7-13(18-15)12-6-1-3-10-16-12;1-9(17)12-6-2-4-10(15-12)8-11-5-3-7-13(16-11)14(18)19;1-6-3-8(10(16)17)12-14(6)5-15-7(2)4-9(13-15)11(18)19;7-1-2-10-5-6(3-8)4-9/h5-14,16-17,26-27H,15H2,1-4H3;1-15,21H;1-10H,11H2,(H,21,22);1-11,19H;2-7H,8H2,1H3,(H,18,19);3-4H,5H2,1-2H3,(H,16,17)(H,18,19);6,10H,1-5,7-9H2
• InChIKey: UOUGMWZIRJTPJT-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 584.35 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 33
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2043.38
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide?

The IUPAC name of 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide (CID 161151909) is 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide.

What is the SMILES notation for 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide?

The canonical SMILES for 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide is CC(=O)c1cccc(Cc2cccc(C(=O)O)n2)n1.CC(C)c1cccc(-c2ccc(Cc3ccc(-c4cccc(C(C)C)n4)[nH]3)[nH]2)n1.Cc1cc(C(=O)O)nn1Cn1nc(C(=O)O)cc1C.NCCNCC(CN)CN.O=C(O)c1cccc(Cc2cccc(-c3ccccn3)n2)n1.O=S(=O)(NS(=O)(=O)c1cccc(-c2ccccn2)n1)c1ccccn1.c1ccc(-c2cccc(C(c3ccccn3)c3ccccn3)n2)nc1.

What is the InChIKey of 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide?

The InChIKey is UOUGMWZIRJTPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4.C21H16N4.C17H13N3O2.C15H12N4O4S2.C14H12N2O3.C11H12N4O4.C6H18N4/c1-16(2)20-7-5-9-22(28-20)24-13-11-18(26-24)15-19-12-14-25(27-19)23-10-6-8-21(29-23)17(3)4;1-4-13-22-16(8-1)17-11-7-12-20(25-17)21(18-9-2-5-14-23-18)19-10-3-6-15-24-19;21-17(22)16-9-4-6-13(20-16)11-12-5-3-8-15(19-12)14-7-1-2-10-18-14;20-24(21,14-8-2-4-11-17-14)19-25(22,23)15-9-5-7-13(18-15)12-6-1-3-10-16-12;1-9(17)12-6-2-4-10(15-12)8-11-5-3-7-13(16-11)14(18)19;1-6-3-8(10(16)17)12-14(6)5-15-7(2)4-9(13-15)11(18)19;7-1-2-10-5-6(3-8)4-9/h5-14,16-17,26-27H,15H2,1-4H3;1-15,21H;1-10H,11H2,(H,21,22);1-11,19H;2-7H,8H2,1H3,(H,18,19);3-4H,5H2,1-2H3,(H,16,17)(H,18,19);6,10H,1-5,7-9H2.

What are the key properties of 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide?

6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide has a molecular weight of 2043.38 g/mol, XLogP of 15.09, 33 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6-acetyl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;2-[(2-aminoethylamino)methyl]propane-1,3-diamine;1-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-5-methylpyrazole-3-carboxylic acid;2-(dipyridin-2-ylmethyl)-6-pyridin-2-ylpyridine;2-propan-2-yl-6-[5-[[5-(6-propan-2-yl-2-pyridinyl)-1H-pyrrol-2-yl]methyl]-1H-pyrrol-2-yl]pyridine;6-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboxylic acid;6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide is sourced from PubChem (CID 161151909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).