lithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide

C88H111LiN9O14- — CID 159574305

IUPAClithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide
SMILESC=C(CCC)c1cn(C)c2ccccc12.CC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.CCCC(=O)N(C)C.CCCC(=O)c1cn(C)c2ccccc12.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cn(C)c2ccccc12.CCc1cc(C(=O)OC)c(=O)[nH]c1-c1cn(C)c2ccccc12.Cn1ccc2ccccc21.[Li+].[OH-].[OH-]
InChIInChI=1S/C18H18N2O3.C17H16N2O3.C14H17N.C13H15NO.C9H9N.C7H10O4.C6H13NO.C4H11N.Li.2H2O/c1-4-11-9-13(18(22)23-3)17(21)19-16(11)14-10-20(2)15-8-6-5-7-12(14)15;1-3-10-8-12(17(21)22)16(20)18-15(10)13-9-19(2)14-7-5-4-6-11(13)14;1-4-7-11(2)13-10-15(3)14-9-6-5-8-12(13)14;1-3-6-13(15)11-9-14(2)12-8-5-4-7-10(11)12;1-10-7-6-8-4-2-3-5-9(8)10;1-4-5(6(8)10-2)7(9)11-3;1-4-5-6(8)7(2)3;1-4(2,3)5;;;/h5-10H,4H2,1-3H3,(H,19,21);4-9H,3H2,1-2H3,(H,18,20)(H,21,22);5-6,8-10H,2,4,7H2,1,3H3;4-5,7-9H,3,6H2,1-2H3;2-7H,1H3;4H,1-3H3;4-5H2,1-3H3;5H2,1-3H3;;2*1H2/q;;;;;;;;+1;;/p-2
InChIKeyRBYHTURUPUIWPW-UHFFFAOYSA-L
MW1525.85 g/mol
LogP13.56
Rot. Bonds16

About lithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide

lithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide (PubChem CID 159574305) has the molecular formula C88H111LiN9O14- and a molecular weight of 1525.85 g/mol. Its IUPAC name is lithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide.

Molecular Properties

Compound Namelithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide
PubChem CID159574305
Molecular FormulaC88H111LiN9O14-
Molecular Weight1525.85 g/mol
Exact Mass1524.84
IUPAC Namelithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide
SMILESC=C(CCC)c1cn(C)c2ccccc12.CC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.CCCC(=O)N(C)C.CCCC(=O)c1cn(C)c2ccccc12.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cn(C)c2ccccc12.CCc1cc(C(=O)OC)c(=O)[nH]c1-c1cn(C)c2ccccc12.Cn1ccc2ccccc21.[Li+].[OH-].[OH-]
InChIInChI=1S/C18H18N2O3.C17H16N2O3.C14H17N.C13H15NO.C9H9N.C7H10O4.C6H13NO.C4H11N.Li.2H2O/c1-4-11-9-13(18(22)23-3)17(21)19-16(11)14-10-20(2)15-8-6-5-7-12(14)15;1-3-10-8-12(17(21)22)16(20)18-15(10)13-9-19(2)14-7-5-4-6-11(13)14;1-4-7-11(2)13-10-15(3)14-9-6-5-8-12(13)14;1-3-6-13(15)11-9-14(2)12-8-5-4-7-10(11)12;1-10-7-6-8-4-2-3-5-9(8)10;1-4-5(6(8)10-2)7(9)11-3;1-4-5-6(8)7(2)3;1-4(2,3)5;;;/h5-10H,4H2,1-3H3,(H,19,21);4-9H,3H2,1-2H3,(H,18,20)(H,21,22);5-6,8-10H,2,4,7H2,1,3H3;4-5,7-9H,3,6H2,1-2H3;2-7H,1H3;4H,1-3H3;4-5H2,1-3H3;5H2,1-3H3;;2*1H2/q;;;;;;;;+1;;/p-2
InChIKeyRBYHTURUPUIWPW-UHFFFAOYSA-L
XLogP13.56
TPSA329.97 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001525.85
LogP ≤ 513.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze lithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide with MolForge

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Related Compounds

5-ethyl-4-[4-[5-ethyl-4-[4-[4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl]oxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 118951152
acetonitrile;tert-butyl (3Z)-3-(1H-indol-3-ylmethylidene)-2-oxoindole-1-carboxylate;tert-butyl 2-oxo-3H-indole-1-carboxylate;1,3-dihydroindol-2-one;ethanol;1H-indole-3-carbaldehyde
CID 157058091
6-[2-[[benzyl(methyl)amino]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[[[(1S)-1-phenylethyl]amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[[[(1R)-1-phenylpropyl]amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[[[(1S)-1-phenylpropyl]amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[1-methyl-2-[(pyridin-2-ylmethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 157210146
lithium;5-bromo-1-methylindole;N-tert-butyl-3-methyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;N-methoxy-N,3-dimethylbutanamide;6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylic acid;3-methyl-1-(1-methylindol-5-yl)butan-1-one;methyl 6-(1-methylindol-5-yl)-2-oxo-5-propan-2-yl-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;dihydroxide
CID 157292195
CID 157588867
CID 157588867
lithium;5-bromo-1-methylindole;N-tert-butyl-1-(1-methylindol-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methane;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylate;1-(1-methylindol-5-yl)butan-1-one;2-methylpropan-2-amine;dihydroxide
CID 157630209
methyl 3-(1-methylpyrrolidin-2-yl)-5-phenyl-1H-indole-7-carboxylate;methyl 5-phenyl-1H-indole-7-carboxylate;3-(1-methylpyrrolidin-2-yl)-5-phenyl-1H-indole-7-carboxamide;3-(1-methylpyrrolidin-2-yl)-5-phenyl-1H-indole-7-carboxylic acid
CID 157673512
(E)-2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-3-(1H-indol-3-yl)prop-2-enenitrile;tert-butyl 3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]indole-1-carboxylate;tert-butyl 3-formylindole-1-carboxylate;(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoic acid
CID 157740277
CID 157810095
CID 157810095
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide;2-methyl-1-(1-phenylethyl)indole-3-carboxylic acid
CID 158207960
(E,4S)-4-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4R)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S)-2,5-dimethyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]amino]hex-2-enoic acid;(E,4S)-4-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-3-methyl-2-(methylamino)butanoyl]amino]-3-methylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;(E,4S,7S)-2,8,8-trimethyl-7-[[(2S)-3-methyl-2-(methylamino)-3-(1-methylindol-3-yl)butanoyl]amino]-6-oxo-4-propan-2-ylnon-2-enoic acid
CID 158468362
5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid
CID 158484357

Frequently Asked Questions

What is the IUPAC name of lithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide?
The IUPAC name of lithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide (CID 159574305) is lithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide.
What is the SMILES notation for lithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide?
The canonical SMILES for lithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide is C=C(CCC)c1cn(C)c2ccccc12.CC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.CCCC(=O)N(C)C.CCCC(=O)c1cn(C)c2ccccc12.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cn(C)c2ccccc12.CCc1cc(C(=O)OC)c(=O)[nH]c1-c1cn(C)c2ccccc12.Cn1ccc2ccccc21.[Li+].[OH-].[OH-].
What is the InChIKey of lithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide?
The InChIKey is RBYHTURUPUIWPW-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H18N2O3.C17H16N2O3.C14H17N.C13H15NO.C9H9N.C7H10O4.C6H13NO.C4H11N.Li.2H2O/c1-4-11-9-13(18(22)23-3)17(21)19-16(11)14-10-20(2)15-8-6-5-7-12(14)15;1-3-10-8-12(17(21)22)16(20)18-15(10)13-9-19(2)14-7-5-4-6-11(13)14;1-4-7-11(2)13-10-15(3)14-9-6-5-8-12(13)14;1-3-6-13(15)11-9-14(2)12-8-5-4-7-10(11)12;1-10-7-6-8-4-2-3-5-9(8)10;1-4-5(6(8)10-2)7(9)11-3;1-4-5-6(8)7(2)3;1-4(2,3)5;;;/h5-10H,4H2,1-3H3,(H,19,21);4-9H,3H2,1-2H3,(H,18,20)(H,21,22);5-6,8-10H,2,4,7H2,1,3H3;4-5,7-9H,3,6H2,1-2H3;2-7H,1H3;4H,1-3H3;4-5H2,1-3H3;5H2,1-3H3;;2*1H2/q;;;;;;;;+1;;/p-2.
What are the key properties of lithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide?
lithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide has a molecular weight of 1525.85 g/mol, XLogP of 13.56, 16 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N,N-dimethylbutanamide;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;methyl 5-ethyl-6-(1-methylindol-3-yl)-2-oxo-1H-pyridine-3-carboxylate;1-methylindole;1-(1-methylindol-3-yl)butan-1-one;1-methyl-3-pent-1-en-2-ylindole;2-methylpropan-2-amine;dihydroxide is sourced from PubChem (CID 159574305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).