(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride

C97H144Cl3N9O13 — CID 158915697

IUPAC(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride
SMILESC1CCOCC1.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)CCCN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)CCCNC(=O)c1ccc(CCN2CCOCC2)nc1.COC(=O)c1ccc(C)nc1.COC(=O)c1ccc(CCN2CCOCC2)nc1.Cl.ClCCl.O=C(O)c1ccc(CCN2CCOCC2)nc1
InChIInChI=1S/C35H51N3O3.C23H37NO.C13H18N2O3.C12H16N2O3.C8H9NO2.C5H10O.CH2Cl2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-34(39)21-19-25-36-35(40)32-22-23-33(37-31-32)24-26-38-27-29-41-30-28-38;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24;1-17-13(16)11-2-3-12(14-10-11)4-5-15-6-8-18-9-7-15;15-12(16)10-1-2-11(13-9-10)3-4-14-5-7-17-8-6-14;1-6-3-4-7(5-9-6)8(10)11-2;1-2-4-6-5-3-1;2-1-3;/h3-4,6-7,9-10,12-13,15-16,22-23,31H,2,5,8,11,14,17-21,24-30H2,1H3,(H,36,40);3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-22,24H2,1H3;2-3,10H,4-9H2,1H3;1-2,9H,3-8H2,(H,15,16);3-5H,1-2H3;1-5H2;1H2;1H/b2*4-3-,7-6-,10-9-,13-12-,16-15-;;;;;;
InChIKeyADMLUESLHLLRTP-BALQFGSBSA-N
MW1750.63 g/mol
LogP18.78
Rot. Bonds46

About (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride

(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride (PubChem CID 158915697) has the molecular formula C97H144Cl3N9O13 and a molecular weight of 1750.63 g/mol. Its IUPAC name is (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride.

Molecular Properties

Compound Name(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride
PubChem CID158915697
Molecular FormulaC97H144Cl3N9O13
Molecular Weight1750.63 g/mol
Exact Mass1747.99
IUPAC Name(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride
SMILESC1CCOCC1.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)CCCN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)CCCNC(=O)c1ccc(CCN2CCOCC2)nc1.COC(=O)c1ccc(C)nc1.COC(=O)c1ccc(CCN2CCOCC2)nc1.Cl.ClCCl.O=C(O)c1ccc(CCN2CCOCC2)nc1
InChIInChI=1S/C35H51N3O3.C23H37NO.C13H18N2O3.C12H16N2O3.C8H9NO2.C5H10O.CH2Cl2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-34(39)21-19-25-36-35(40)32-22-23-33(37-31-32)24-26-38-27-29-41-30-28-38;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24;1-17-13(16)11-2-3-12(14-10-11)4-5-15-6-8-18-9-7-15;15-12(16)10-1-2-11(13-9-10)3-4-14-5-7-17-8-6-14;1-6-3-4-7(5-9-6)8(10)11-2;1-2-4-6-5-3-1;2-1-3;/h3-4,6-7,9-10,12-13,15-16,22-23,31H,2,5,8,11,14,17-21,24-30H2,1H3,(H,36,40);3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-22,24H2,1H3;2-3,10H,4-9H2,1H3;1-2,9H,3-8H2,(H,15,16);3-5H,1-2H3;1-5H2;1H2;1H/b2*4-3-,7-6-,10-9-,13-12-,16-15-;;;;;;
InChIKeyADMLUESLHLLRTP-BALQFGSBSA-N
XLogP18.78
TPSA277.36 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds46
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001750.63
LogP ≤ 518.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride with MolForge

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Related Compounds

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2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159561965
6-Ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 161267007
methyl 4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate;methyl 4-[3-[(2S,3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-oxopropyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate;hydrochloride
CID 161858983
6-[3-[(1R)-1-aminoethyl]pyrazin-2-yl]pyridine-3-carboxylic acid;methyl 6-[3-[(1R)-1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]pyrazin-2-yl]pyridine-3-carboxylate
CID 175807861
29,31-Bis(2-aminoethylcarbamoyl)-1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28,30,32(34)-pentadecaene-5,10,18,23-tetracarboxylic acid
CID 10235788
2-[[31-(2-Azaniumylethylcarbamoyl)-5,10,18,23-tetracarboxy-1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-29-carbonyl]amino]ethylazanium
CID 23545480
[(2R,3R,4R,5S)-2,3,4,5,6-pentakis[[6-(2-morpholin-4-ylethyl)pyridine-3-carbonyl]oxy]hexyl] 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate
CID 56592763
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CID 118697869
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CID 157080560
2-Acetylpyridine-3-carboxylic acid;3-(aminomethyl)pyridine-2-carboxylic acid;1-[3-(aminomethyl)-2-pyridinyl]ethanone;1-[3-(azidomethyl)-2-pyridinyl]ethanone;furo[3,4-b]pyridine-5,7-dione;1-[3-(hydroxymethyl)-2-pyridinyl]ethanone;3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-2-carboxylic acid
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2-[4-Carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;methyl 2-[4-methoxycarbonyl-6-(4-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]-6-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate
CID 157096850

Frequently Asked Questions

What is the IUPAC name of (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride?
The IUPAC name of (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride (CID 158915697) is (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride.
What is the SMILES notation for (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride?
The canonical SMILES for (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride is C1CCOCC1.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)CCCN.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)CCCNC(=O)c1ccc(CCN2CCOCC2)nc1.COC(=O)c1ccc(C)nc1.COC(=O)c1ccc(CCN2CCOCC2)nc1.Cl.ClCCl.O=C(O)c1ccc(CCN2CCOCC2)nc1.
What is the InChIKey of (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride?
The InChIKey is ADMLUESLHLLRTP-BALQFGSBSA-N. The full InChI is InChI=1S/C35H51N3O3.C23H37NO.C13H18N2O3.C12H16N2O3.C8H9NO2.C5H10O.CH2Cl2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-34(39)21-19-25-36-35(40)32-22-23-33(37-31-32)24-26-38-27-29-41-30-28-38;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24;1-17-13(16)11-2-3-12(14-10-11)4-5-15-6-8-18-9-7-15;15-12(16)10-1-2-11(13-9-10)3-4-14-5-7-17-8-6-14;1-6-3-4-7(5-9-6)8(10)11-2;1-2-4-6-5-3-1;2-1-3;/h3-4,6-7,9-10,12-13,15-16,22-23,31H,2,5,8,11,14,17-21,24-30H2,1H3,(H,36,40);3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-22,24H2,1H3;2-3,10H,4-9H2,1H3;1-2,9H,3-8H2,(H,15,16);3-5H,1-2H3;1-5H2;1H2;1H/b2*4-3-,7-6-,10-9-,13-12-,16-15-;;;;;;.
What are the key properties of (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride?
(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride has a molecular weight of 1750.63 g/mol, XLogP of 18.78, 46 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride is sourced from PubChem (CID 158915697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).