N,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide

C42H42N8O4 — CID 67823513

IUPACN,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide
SMILESCOc1cc2c(c3ccccc3n2C)c2c(NCCNC(=O)CCC(=O)NCCNc3nccc4c(OC)cc5c(c6ccccc6n5C)c34)nccc12
InChIInChI=1S/C42H42N8O4/c1-49-29-11-7-5-9-25(29)37-31(49)23-33(53-3)27-15-17-45-41(39(27)37)47-21-19-43-35(51)13-14-36(52)44-20-22-48-42-40-28(16-18-46-42)34(54-4)24-32-38(40)26-10-6-8-12-30(26)50(32)2/h5-12,15-18,23-24H,13-14,19-22H2,1-4H3,(H,43,51)(H,44,52)(H,45,47)(H,46,48)
InChIKeySVFRESXYSJCIQT-UHFFFAOYSA-N
MW722.85 g/mol
LogP6.63
Rot. Bonds13

About N,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide

N,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide (PubChem CID 67823513) has the molecular formula C42H42N8O4 and a molecular weight of 722.85 g/mol. Its IUPAC name is N,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide.

Molecular Properties

Compound NameN,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide
PubChem CID67823513
Molecular FormulaC42H42N8O4
Molecular Weight722.85 g/mol
Exact Mass722.33
IUPAC NameN,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide
SMILESCOc1cc2c(c3ccccc3n2C)c2c(NCCNC(=O)CCC(=O)NCCNc3nccc4c(OC)cc5c(c6ccccc6n5C)c34)nccc12
InChIInChI=1S/C42H42N8O4/c1-49-29-11-7-5-9-25(29)37-31(49)23-33(53-3)27-15-17-45-41(39(27)37)47-21-19-43-35(51)13-14-36(52)44-20-22-48-42-40-28(16-18-46-42)34(54-4)24-32-38(40)26-10-6-8-12-30(26)50(32)2/h5-12,15-18,23-24H,13-14,19-22H2,1-4H3,(H,43,51)(H,44,52)(H,45,47)(H,46,48)
InChIKeySVFRESXYSJCIQT-UHFFFAOYSA-N
XLogP6.63
TPSA136.36 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.85
LogP ≤ 56.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide with MolForge

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Related Compounds

6H-Pyrido(4,3-b)carbazole, 1-((3-(4-aminopropyl-1-piperazinyl)propyl)amino)-9-methoxy-5-methyl-
CID 135608
1,2-Ethanediamine, N,N-diethyl-N'-(5,6-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-, hemihydrate
CID 3068871
(4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241946
(4R)-4-[(1R)-1-[7-(1,2-dimethylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241974
(4R)-4-[(1R)-1-[7-(2-methylimidazo[1,2-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241942
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241956
1-[2-[[2-Fluoro-6-methoxy-4-[2-methyl-3-[2-methyl-3-(pyrido[3,4-b]pyrazin-5-ylamino)phenyl]phenyl]phenyl]methylamino]ethyl]pyrrolidin-2-one
CID 155288369
(2-Aminoethyl)(5-methoxy-7-methylpyridino[4,3-c]carbazolyl)amine
CID 471281
4-(6-methoxy-1H-indol-3-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino] isoindolin-1-one
CID 156163471
{2-[(5-Methoxy-7-methylpyridino[4,3-c]carbazolyl)amino]ethyl}dimethylamine
CID 471280
3-[(5-Methoxy-7-methylpyridino[4,3-c]carbazolyl)amino]propan-1-ol
CID 471282
(5-Methoxy-7-methylpyridino[4,3-c]carbazolyl)(2-piperidylethyl)amine
CID 471285

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide?
The IUPAC name of N,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide (CID 67823513) is N,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide.
What is the SMILES notation for N,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide?
The canonical SMILES for N,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide is COc1cc2c(c3ccccc3n2C)c2c(NCCNC(=O)CCC(=O)NCCNc3nccc4c(OC)cc5c(c6ccccc6n5C)c34)nccc12.
What is the InChIKey of N,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide?
The InChIKey is SVFRESXYSJCIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42N8O4/c1-49-29-11-7-5-9-25(29)37-31(49)23-33(53-3)27-15-17-45-41(39(27)37)47-21-19-43-35(51)13-14-36(52)44-20-22-48-42-40-28(16-18-46-42)34(54-4)24-32-38(40)26-10-6-8-12-30(26)50(32)2/h5-12,15-18,23-24H,13-14,19-22H2,1-4H3,(H,43,51)(H,44,52)(H,45,47)(H,46,48).
What are the key properties of N,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide?
N,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide has a molecular weight of 722.85 g/mol, XLogP of 6.63, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]ethyl]butanediamide is sourced from PubChem (CID 67823513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).