heptakis(carbon dioxide);2-chloro-5-ethyl-N-(3-methylphenyl)pyridin-4-amine;2,4-dichloro-5-ethylpyridine;1-ethyl-3-[5-ethyl-4-(3-methylanilino)-2-pyridinyl]urea;5-ethyl-4-hydroxy-1H-pyridin-2-one;5-ethyl-2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-diamine;5-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine;ethyl 3-oxohexanoate

C96H109Cl3N14O21 — CID 176541796

About heptakis(carbon dioxide);2-chloro-5-ethyl-N-(3-methylphenyl)pyridin-4-amine;2,4-dichloro-5-ethylpyridine;1-ethyl-3-[5-ethyl-4-(3-methylanilino)-2-pyridinyl]urea;5-ethyl-4-hydroxy-1H-pyridin-2-one;5-ethyl-2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-diamine;5-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine;ethyl 3-oxohexanoate

heptakis(carbon dioxide);2-chloro-5-ethyl-N-(3-methylphenyl)pyridin-4-amine;2,4-dichloro-5-ethylpyridine;1-ethyl-3-[5-ethyl-4-(3-methylanilino)-2-pyridinyl]urea;5-ethyl-4-hydroxy-1H-pyridin-2-one;5-ethyl-2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-diamine;5-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine;ethyl 3-oxohexanoate (PubChem CID 176541796) has the molecular formula C96H109Cl3N14O21 and a molecular weight of 1901.36 g/mol. Its IUPAC name is heptakis(carbon dioxide);2-chloro-5-ethyl-N-(3-methylphenyl)pyridin-4-amine;2,4-dichloro-5-ethylpyridine;1-ethyl-3-[5-ethyl-4-(3-methylanilino)-2-pyridinyl]urea;5-ethyl-4-hydroxy-1H-pyridin-2-one;5-ethyl-2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-diamine;5-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine;ethyl 3-oxohexanoate.

Molecular Properties

• Compound Name: heptakis(carbon dioxide);2-chloro-5-ethyl-N-(3-methylphenyl)pyridin-4-amine;2,4-dichloro-5-ethylpyridine;1-ethyl-3-[5-ethyl-4-(3-methylanilino)-2-pyridinyl]urea;5-ethyl-4-hydroxy-1H-pyridin-2-one;5-ethyl-2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-diamine;5-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine;ethyl 3-oxohexanoate
• PubChem CID: 176541796
• Molecular Formula: C96H109Cl3N14O21
• Molecular Weight: 1901.36 g/mol
• Exact Mass: 1898.70
• IUPAC Name: heptakis(carbon dioxide);2-chloro-5-ethyl-N-(3-methylphenyl)pyridin-4-amine;2,4-dichloro-5-ethylpyridine;1-ethyl-3-[5-ethyl-4-(3-methylanilino)-2-pyridinyl]urea;5-ethyl-4-hydroxy-1H-pyridin-2-one;5-ethyl-2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-diamine;5-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine;ethyl 3-oxohexanoate
• SMILES: CCCC(=O)CC(=O)OCC.CCNC(=O)Nc1cc(Nc2cccc(C)c2)c(CC)cn1.CCc1c[nH]c(=O)cc1O.CCc1cnc(Cl)cc1Cl.CCc1cnc(Cl)cc1Nc1cccc(C)c1.CCc1cnc(N)cc1Nc1cccc(C)c1.CCc1cnc(NCc2ccc(OC)cc2)cc1Nc1cccc(C)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C22H25N3O.C17H22N4O.C14H15ClN2.C14H17N3.C8H14O3.C7H7Cl2N.C7H9NO2.7CO2/c1-4-18-15-24-22(23-14-17-8-10-20(26-3)11-9-17)13-21(18)25-19-7-5-6-16(2)12-19;1-4-13-11-19-16(21-17(22)18-5-2)10-15(13)20-14-8-6-7-12(3)9-14;2*1-3-11-9-16-14(15)8-13(11)17-12-6-4-5-10(2)7-12;1-3-5-7(9)6-8(10)11-4-2;1-2-5-4-10-7(9)3-6(5)8;1-2-5-4-8-7(10)3-6(5)9;7*2-1-3/h5-13,15H,4,14H2,1-3H3,(H2,23,24,25);6-11H,4-5H2,1-3H3,(H3,18,19,20,21,22);4-9H,3H2,1-2H3,(H,16,17);4-9H,3H2,1-2H3,(H3,15,16,17);3-6H2,1-2H3;3-4H,2H2,1H3;3-4H,2H2,1H3,(H2,8,9,10)
• InChIKey: QTCAUIXYFMUMIS-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 536.42 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.36
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of heptakis(carbon dioxide);2-chloro-5-ethyl-N-(3-methylphenyl)pyridin-4-amine;2,4-dichloro-5-ethylpyridine;1-ethyl-3-[5-ethyl-4-(3-methylanilino)-2-pyridinyl]urea;5-ethyl-4-hydroxy-1H-pyridin-2-one;5-ethyl-2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-diamine;5-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine;ethyl 3-oxohexanoate?

The IUPAC name of heptakis(carbon dioxide);2-chloro-5-ethyl-N-(3-methylphenyl)pyridin-4-amine;2,4-dichloro-5-ethylpyridine;1-ethyl-3-[5-ethyl-4-(3-methylanilino)-2-pyridinyl]urea;5-ethyl-4-hydroxy-1H-pyridin-2-one;5-ethyl-2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-diamine;5-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine;ethyl 3-oxohexanoate (CID 176541796) is heptakis(carbon dioxide);2-chloro-5-ethyl-N-(3-methylphenyl)pyridin-4-amine;2,4-dichloro-5-ethylpyridine;1-ethyl-3-[5-ethyl-4-(3-methylanilino)-2-pyridinyl]urea;5-ethyl-4-hydroxy-1H-pyridin-2-one;5-ethyl-2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-diamine;5-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine;ethyl 3-oxohexanoate.

What is the SMILES notation for heptakis(carbon dioxide);2-chloro-5-ethyl-N-(3-methylphenyl)pyridin-4-amine;2,4-dichloro-5-ethylpyridine;1-ethyl-3-[5-ethyl-4-(3-methylanilino)-2-pyridinyl]urea;5-ethyl-4-hydroxy-1H-pyridin-2-one;5-ethyl-2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-diamine;5-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine;ethyl 3-oxohexanoate?

The canonical SMILES for heptakis(carbon dioxide);2-chloro-5-ethyl-N-(3-methylphenyl)pyridin-4-amine;2,4-dichloro-5-ethylpyridine;1-ethyl-3-[5-ethyl-4-(3-methylanilino)-2-pyridinyl]urea;5-ethyl-4-hydroxy-1H-pyridin-2-one;5-ethyl-2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-diamine;5-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine;ethyl 3-oxohexanoate is CCCC(=O)CC(=O)OCC.CCNC(=O)Nc1cc(Nc2cccc(C)c2)c(CC)cn1.CCc1c[nH]c(=O)cc1O.CCc1cnc(Cl)cc1Cl.CCc1cnc(Cl)cc1Nc1cccc(C)c1.CCc1cnc(N)cc1Nc1cccc(C)c1.CCc1cnc(NCc2ccc(OC)cc2)cc1Nc1cccc(C)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of heptakis(carbon dioxide);2-chloro-5-ethyl-N-(3-methylphenyl)pyridin-4-amine;2,4-dichloro-5-ethylpyridine;1-ethyl-3-[5-ethyl-4-(3-methylanilino)-2-pyridinyl]urea;5-ethyl-4-hydroxy-1H-pyridin-2-one;5-ethyl-2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-diamine;5-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine;ethyl 3-oxohexanoate?

The InChIKey is QTCAUIXYFMUMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O.C17H22N4O.C14H15ClN2.C14H17N3.C8H14O3.C7H7Cl2N.C7H9NO2.7CO2/c1-4-18-15-24-22(23-14-17-8-10-20(26-3)11-9-17)13-21(18)25-19-7-5-6-16(2)12-19;1-4-13-11-19-16(21-17(22)18-5-2)10-15(13)20-14-8-6-7-12(3)9-14;2*1-3-11-9-16-14(15)8-13(11)17-12-6-4-5-10(2)7-12;1-3-5-7(9)6-8(10)11-4-2;1-2-5-4-10-7(9)3-6(5)8;1-2-5-4-8-7(10)3-6(5)9;7*2-1-3/h5-13,15H,4,14H2,1-3H3,(H2,23,24,25);6-11H,4-5H2,1-3H3,(H3,18,19,20,21,22);4-9H,3H2,1-2H3,(H,16,17);4-9H,3H2,1-2H3,(H3,15,16,17);3-6H2,1-2H3;3-4H,2H2,1H3;3-4H,2H2,1H3,(H2,8,9,10);;;;;;;.

What are the key properties of heptakis(carbon dioxide);2-chloro-5-ethyl-N-(3-methylphenyl)pyridin-4-amine;2,4-dichloro-5-ethylpyridine;1-ethyl-3-[5-ethyl-4-(3-methylanilino)-2-pyridinyl]urea;5-ethyl-4-hydroxy-1H-pyridin-2-one;5-ethyl-2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-diamine;5-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine;ethyl 3-oxohexanoate?

heptakis(carbon dioxide);2-chloro-5-ethyl-N-(3-methylphenyl)pyridin-4-amine;2,4-dichloro-5-ethylpyridine;1-ethyl-3-[5-ethyl-4-(3-methylanilino)-2-pyridinyl]urea;5-ethyl-4-hydroxy-1H-pyridin-2-one;5-ethyl-2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-diamine;5-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine;ethyl 3-oxohexanoate has a molecular weight of 1901.36 g/mol, XLogP of 17.60, 25 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for heptakis(carbon dioxide);2-chloro-5-ethyl-N-(3-methylphenyl)pyridin-4-amine;2,4-dichloro-5-ethylpyridine;1-ethyl-3-[5-ethyl-4-(3-methylanilino)-2-pyridinyl]urea;5-ethyl-4-hydroxy-1H-pyridin-2-one;5-ethyl-2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)pyridine-2,4-diamine;5-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine;ethyl 3-oxohexanoate is sourced from PubChem (CID 176541796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).