N-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide

C56H75N5O8 — CID 143210539

IUPACN-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide
SMILESC=Cc1ccc(CN(CCC2CCCN2C)C(=O)c2cc(OC)c(OC)c(OC)c2)nc1C=C.CC.COc1cc(C(=O)N(CCCNCC(C)C)c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C27H35N3O4.C27H34N2O4.C2H6/c1-7-19-11-12-21(28-23(19)8-2)18-30(15-13-22-10-9-14-29(22)3)27(31)20-16-24(32-4)26(34-6)25(17-20)33-5;1-19(2)18-28-13-8-14-29(23-12-11-20-9-6-7-10-21(20)15-23)27(30)22-16-24(31-3)26(33-5)25(17-22)32-4;1-2/h7-8,11-12,16-17,22H,1-2,9-10,13-15,18H2,3-6H3;6-7,9-12,15-17,19,28H,8,13-14,18H2,1-5H3;1-2H3
InChIKeyURPWITBVPHJPPK-UHFFFAOYSA-N
MW946.24 g/mol
LogP10.69
Rot. Bonds22

About N-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide

N-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide (PubChem CID 143210539) has the molecular formula C56H75N5O8 and a molecular weight of 946.24 g/mol. Its IUPAC name is N-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound NameN-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide
PubChem CID143210539
Molecular FormulaC56H75N5O8
Molecular Weight946.24 g/mol
Exact Mass945.56
IUPAC NameN-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide
SMILESC=Cc1ccc(CN(CCC2CCCN2C)C(=O)c2cc(OC)c(OC)c(OC)c2)nc1C=C.CC.COc1cc(C(=O)N(CCCNCC(C)C)c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C27H35N3O4.C27H34N2O4.C2H6/c1-7-19-11-12-21(28-23(19)8-2)18-30(15-13-22-10-9-14-29(22)3)27(31)20-16-24(32-4)26(34-6)25(17-20)33-5;1-19(2)18-28-13-8-14-29(23-12-11-20-9-6-7-10-21(20)15-23)27(30)22-16-24(31-3)26(33-5)25(17-22)32-4;1-2/h7-8,11-12,16-17,22H,1-2,9-10,13-15,18H2,3-6H3;6-7,9-12,15-17,19,28H,8,13-14,18H2,1-5H3;1-2H3
InChIKeyURPWITBVPHJPPK-UHFFFAOYSA-N
XLogP10.69
TPSA124.16 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500946.24
LogP ≤ 510.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide with MolForge

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Related Compounds

Benzamide, N,N'-((2,6-pyridylidene)dimethylene)bis(3,4,5-trimethoxy-
CID 54546
(3-Methyl-1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 281099
3,4,5-Trimethoxy-N-(1-methyl-1H-indol-2-ylmethyl)-benzamide
CID 6498691
N-(1-Ethyl-5-methyl-1H-indol-2-ylmethyl)-3,4,5-trimethoxy-benzamide
CID 6498751
Methyl 7-methoxy-4-[7-methoxy-5-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamoyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate
CID 145949544
Methyl 7-methoxy-4-[7-methoxy-5-[12-(1,2,3,4-tetrahydroacridin-9-ylamino)dodecylcarbamoyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate
CID 145950370
Methyl 7-methoxy-4-[7-methoxy-5-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylcarbamoyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate
CID 145955968
Methyl 7-methoxy-4-[7-methoxy-5-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylcarbamoyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate
CID 145958266
Methyl 7-methoxy-4-[7-methoxy-5-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylcarbamoyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate
CID 145971963
3,4,5-trimethoxy-N-[2-(2-methyl-1H-indol-1-yl)ethyl]benzamide
CID 5213756
N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-propan-2-ylphenyl)-1H-indole-2-carboxamide
CID 122609708
N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(4-propan-2-ylphenyl)-1H-indole-2-carboxamide
CID 122609724

Frequently Asked Questions

What is the IUPAC name of N-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide?
The IUPAC name of N-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide (CID 143210539) is N-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for N-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide?
The canonical SMILES for N-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide is C=Cc1ccc(CN(CCC2CCCN2C)C(=O)c2cc(OC)c(OC)c(OC)c2)nc1C=C.CC.COc1cc(C(=O)N(CCCNCC(C)C)c2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of N-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide?
The InChIKey is URPWITBVPHJPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4.C27H34N2O4.C2H6/c1-7-19-11-12-21(28-23(19)8-2)18-30(15-13-22-10-9-14-29(22)3)27(31)20-16-24(32-4)26(34-6)25(17-20)33-5;1-19(2)18-28-13-8-14-29(23-12-11-20-9-6-7-10-21(20)15-23)27(30)22-16-24(31-3)26(33-5)25(17-22)32-4;1-2/h7-8,11-12,16-17,22H,1-2,9-10,13-15,18H2,3-6H3;6-7,9-12,15-17,19,28H,8,13-14,18H2,1-5H3;1-2H3.
What are the key properties of N-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide?
N-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide has a molecular weight of 946.24 g/mol, XLogP of 10.69, 22 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5,6-bis(ethenyl)-2-pyridinyl]methyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide;ethane;3,4,5-trimethoxy-N-[3-(2-methylpropylamino)propyl]-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 143210539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).