bis(3-[2-(7-cyclopenta-1,4-dien-1-yl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid);3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid

C182H177N9O25 — CID 158216640

About bis(3-[2-(7-cyclopenta-1,4-dien-1-yl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid);3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid

bis(3-[2-(7-cyclopenta-1,4-dien-1-yl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid);3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid (PubChem CID 158216640) has the molecular formula C182H177N9O25 and a molecular weight of 2890.46 g/mol. Its IUPAC name is bis(3-[2-(7-cyclopenta-1,4-dien-1-yl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid);3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: bis(3-[2-(7-cyclopenta-1,4-dien-1-yl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid);3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid
• PubChem CID: 158216640
• Molecular Formula: C182H177N9O25
• Molecular Weight: 2890.46 g/mol
• Exact Mass: 2888.29
• IUPAC Name: bis(3-[2-(7-cyclopenta-1,4-dien-1-yl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid);3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid
• SMILES: Cc1cc2c(cc1C)C(CCc1cnccc1C(=O)O)CCO2.Cc1ccc(-c2ccc3c(c2)OCCC3CCc2cnccc2C(=O)O)cc1.Cc1ccc(-c2ccc3c(c2)OCCC3CCc2cnccc2C(=O)O)cc1.Cc1cccc(-c2ccc3c(c2)OCCC3CCc2cnccc2C(=O)O)c1.Cc1cccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)n1.O=C(O)c1ccncc1CCC1CCOc2cc(C3=CCC=C3)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(C3=CCC=C3)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(Oc3ccccc3)ccc21
• InChI: InChI=1S/C24H24N2O3.3C24H23NO3.C23H21NO4.2C22H21NO3.C19H21NO3/c1-16-4-2-7-23(26-16)29-20-10-11-21-17(5-3-6-18(21)14-20)8-9-19-15-25-13-12-22(19)24(27)28;2*1-16-2-4-17(5-3-16)19-8-9-21-18(11-13-28-23(21)14-19)6-7-20-15-25-12-10-22(20)24(26)27;1-16-3-2-4-18(13-16)19-7-8-21-17(10-12-28-23(21)14-19)5-6-20-15-25-11-9-22(20)24(26)27;25-23(26)21-10-12-24-15-17(21)7-6-16-11-13-27-22-14-19(8-9-20(16)22)28-18-4-2-1-3-5-18;2*24-22(25)20-9-11-23-14-18(20)6-5-16-10-12-26-21-13-17(7-8-19(16)21)15-3-1-2-4-15;1-12-9-17-14(6-8-23-18(17)10-13(12)2)3-4-15-11-20-7-5-16(15)19(21)22/h2,4,7,10-15,17H,3,5-6,8-9H2,1H3,(H,27,28);2*2-5,8-10,12,14-15,18H,6-7,11,13H2,1H3,(H,26,27);2-4,7-9,11,13-15,17H,5-6,10,12H2,1H3,(H,26,27);1-5,8-10,12,14-16H,6-7,11,13H2,(H,25,26);2*1,3-4,7-9,11,13-14,16H,2,5-6,10,12H2,(H,24,25);5,7,9-11,14H,3-4,6,8H2,1-2H3,(H,21,22)
• InChIKey: GCSRGFKDUSASDL-UHFFFAOYSA-N
• XLogP: 39.30
• TPSA: 497.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 41
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2890.46
LogP ≤ 5	39.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of bis(3-[2-(7-cyclopenta-1,4-dien-1-yl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid);3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid?

The IUPAC name of bis(3-[2-(7-cyclopenta-1,4-dien-1-yl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid);3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid (CID 158216640) is bis(3-[2-(7-cyclopenta-1,4-dien-1-yl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid);3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid.

What is the SMILES notation for bis(3-[2-(7-cyclopenta-1,4-dien-1-yl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid);3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid?

The canonical SMILES for bis(3-[2-(7-cyclopenta-1,4-dien-1-yl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid);3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid is Cc1cc2c(cc1C)C(CCc1cnccc1C(=O)O)CCO2.Cc1ccc(-c2ccc3c(c2)OCCC3CCc2cnccc2C(=O)O)cc1.Cc1ccc(-c2ccc3c(c2)OCCC3CCc2cnccc2C(=O)O)cc1.Cc1cccc(-c2ccc3c(c2)OCCC3CCc2cnccc2C(=O)O)c1.Cc1cccc(Oc2ccc3c(c2)CCCC3CCc2cnccc2C(=O)O)n1.O=C(O)c1ccncc1CCC1CCOc2cc(C3=CCC=C3)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(C3=CCC=C3)ccc21.O=C(O)c1ccncc1CCC1CCOc2cc(Oc3ccccc3)ccc21.

What is the InChIKey of bis(3-[2-(7-cyclopenta-1,4-dien-1-yl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid);3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid?

The InChIKey is GCSRGFKDUSASDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3.3C24H23NO3.C23H21NO4.2C22H21NO3.C19H21NO3/c1-16-4-2-7-23(26-16)29-20-10-11-21-17(5-3-6-18(21)14-20)8-9-19-15-25-13-12-22(19)24(27)28;2*1-16-2-4-17(5-3-16)19-8-9-21-18(11-13-28-23(21)14-19)6-7-20-15-25-12-10-22(20)24(26)27;1-16-3-2-4-18(13-16)19-7-8-21-17(10-12-28-23(21)14-19)5-6-20-15-25-11-9-22(20)24(26)27;25-23(26)21-10-12-24-15-17(21)7-6-16-11-13-27-22-14-19(8-9-20(16)22)28-18-4-2-1-3-5-18;2*24-22(25)20-9-11-23-14-18(20)6-5-16-10-12-26-21-13-17(7-8-19(16)21)15-3-1-2-4-15;1-12-9-17-14(6-8-23-18(17)10-13(12)2)3-4-15-11-20-7-5-16(15)19(21)22/h2,4,7,10-15,17H,3,5-6,8-9H2,1H3,(H,27,28);2*2-5,8-10,12,14-15,18H,6-7,11,13H2,1H3,(H,26,27);2-4,7-9,11,13-15,17H,5-6,10,12H2,1H3,(H,26,27);1-5,8-10,12,14-16H,6-7,11,13H2,(H,25,26);2*1,3-4,7-9,11,13-14,16H,2,5-6,10,12H2,(H,24,25);5,7,9-11,14H,3-4,6,8H2,1-2H3,(H,21,22).

What are the key properties of bis(3-[2-(7-cyclopenta-1,4-dien-1-yl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid);3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid?

bis(3-[2-(7-cyclopenta-1,4-dien-1-yl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid);3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid has a molecular weight of 2890.46 g/mol, XLogP of 39.30, 41 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-[2-(7-cyclopenta-1,4-dien-1-yl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid);3-[2-(6,7-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;bis(3-[2-[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-3,4-dihydro-2H-chromen-4-yl)ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158216640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).