N,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide)

C55H74N8O12 — CID 173161124

IUPACN,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide)
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.O=C(CCCCCCCC(=O)NCCO)NCCO.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/2C19H21N3O.C13H26N2O4.C4H6O6/c2*1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;16-10-8-14-12(18)6-4-2-1-3-5-7-13(19)15-9-11-17;5-1(3(7)8)2(6)4(9)10/h2*5-10,12H,11H2,1-4H3;16-17H,1-11H2,(H,14,18)(H,15,19);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyOWBKFLSJRJCJFD-UHFFFAOYSA-N
MW1039.24 g/mol
LogP4.31
Rot. Bonds21

About N,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide)

N,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide) (PubChem CID 173161124) has the molecular formula C55H74N8O12 and a molecular weight of 1039.24 g/mol. Its IUPAC name is N,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide).

Molecular Properties

Compound NameN,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide)
PubChem CID173161124
Molecular FormulaC55H74N8O12
Molecular Weight1039.24 g/mol
Exact Mass1038.54
IUPAC NameN,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide)
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.O=C(CCCCCCCC(=O)NCCO)NCCO.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/2C19H21N3O.C13H26N2O4.C4H6O6/c2*1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;16-10-8-14-12(18)6-4-2-1-3-5-7-13(19)15-9-11-17;5-1(3(7)8)2(6)4(9)10/h2*5-10,12H,11H2,1-4H3;16-17H,1-11H2,(H,14,18)(H,15,19);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyOWBKFLSJRJCJFD-UHFFFAOYSA-N
XLogP4.31
TPSA288.94 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001039.24
LogP ≤ 54.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

Zolpidem Tartrate
CID 441338
N,N-Dimethyl-2-(6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl)acetamide 2,3-dihydroxysuccinate
CID 18004026
Bikalm
CID 57487
2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide)
CID 13620391
2,3-dihydroxybutanedioic acid;2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 178295992
2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);4-nitro-3-(trifluoromethyl)aniline
CID 173366684
(2S,3S,4R,5R)-5-[6-(2,2-diphenylethylamino)-2-[(3R)-3-(pyridin-3-ylcarbamoylamino)pyrrolidin-1-yl]purin-9-yl]-3,4-dihydroxyoxolane-2-carboxylic acid;ethanamine;2,2,2-trifluoroacetic acid
CID 177723146
2-[[2-[2-(4-Fluoro-3-methylphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetyl]amino]-3-hydroxybutanoic acid
CID 84275175
N-[3-(3,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 56973393
2,3-dihydroxybutanedioic acid;2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N-phenylacetamide
CID 178298155
2,3-dihydroxybutanedioic acid;N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetamide
CID 178298739
2,3-dihydroxybutanedioic acid;N-(2-fluorophenyl)-2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetamide
CID 178299201

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide)?
The IUPAC name of N,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide) (CID 173161124) is N,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide).
What is the SMILES notation for N,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide)?
The canonical SMILES for N,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide) is Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.O=C(CCCCCCCC(=O)NCCO)NCCO.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of N,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide)?
The InChIKey is OWBKFLSJRJCJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H21N3O.C13H26N2O4.C4H6O6/c2*1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;16-10-8-14-12(18)6-4-2-1-3-5-7-13(19)15-9-11-17;5-1(3(7)8)2(6)4(9)10/h2*5-10,12H,11H2,1-4H3;16-17H,1-11H2,(H,14,18)(H,15,19);1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of N,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide)?
N,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide) has a molecular weight of 1039.24 g/mol, XLogP of 4.31, 21 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-hydroxyethyl)nonanediamide;2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide) is sourced from PubChem (CID 173161124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).