N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone

C43H44N8O4 — CID 158330800

IUPACN-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone
SMILESCOc1ccc(-c2nc(C(=O)NCCN)cc3c2[nH]c2ccccc23)cc1.COc1ccc(-c2nc(C(C)=O)cc3c2[nH]c2ccccc23)cc1.NCCN
InChIInChI=1S/C21H20N4O2.C20H16N2O2.C2H8N2/c1-27-14-8-6-13(7-9-14)19-20-16(15-4-2-3-5-17(15)24-20)12-18(25-19)21(26)23-11-10-22;1-12(23)18-11-16-15-5-3-4-6-17(15)21-20(16)19(22-18)13-7-9-14(24-2)10-8-13;3-1-2-4/h2-9,12,24H,10-11,22H2,1H3,(H,23,26);3-11,21H,1-2H3;1-4H2
InChIKeyGPZFJUHPNOIXES-UHFFFAOYSA-N
MW736.88 g/mol
LogP6.58
Rot. Bonds9

About N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone

N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone (PubChem CID 158330800) has the molecular formula C43H44N8O4 and a molecular weight of 736.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone
PubChem CID158330800
Molecular FormulaC43H44N8O4
Molecular Weight736.88 g/mol
Exact Mass736.35
IUPAC NameN-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone
SMILESCOc1ccc(-c2nc(C(=O)NCCN)cc3c2[nH]c2ccccc23)cc1.COc1ccc(-c2nc(C(C)=O)cc3c2[nH]c2ccccc23)cc1.NCCN
InChIInChI=1S/C21H20N4O2.C20H16N2O2.C2H8N2/c1-27-14-8-6-13(7-9-14)19-20-16(15-4-2-3-5-17(15)24-20)12-18(25-19)21(26)23-11-10-22;1-12(23)18-11-16-15-5-3-4-6-17(15)21-20(16)19(22-18)13-7-9-14(24-2)10-8-13;3-1-2-4/h2-9,12,24H,10-11,22H2,1H3,(H,23,26);3-11,21H,1-2H3;1-4H2
InChIKeyGPZFJUHPNOIXES-UHFFFAOYSA-N
XLogP6.58
TPSA200.05 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500736.88
LogP ≤ 56.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone with MolForge

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Related Compounds

N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 153312546
1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 57392198
N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 166760645
1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172750422
N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6314230
1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172843390
1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide
CID 141453848
1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 71528865
N-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6279501
5-amino-2-[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-5-oxopentanoic acid
CID 6235704
2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6235795
N',N'-bis[[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]butane-1,4-diamine
CID 141373733

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone?
The IUPAC name of N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone (CID 158330800) is N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone?
The canonical SMILES for N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone is COc1ccc(-c2nc(C(=O)NCCN)cc3c2[nH]c2ccccc23)cc1.COc1ccc(-c2nc(C(C)=O)cc3c2[nH]c2ccccc23)cc1.NCCN.
What is the InChIKey of N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone?
The InChIKey is GPZFJUHPNOIXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2.C20H16N2O2.C2H8N2/c1-27-14-8-6-13(7-9-14)19-20-16(15-4-2-3-5-17(15)24-20)12-18(25-19)21(26)23-11-10-22;1-12(23)18-11-16-15-5-3-4-6-17(15)21-20(16)19(22-18)13-7-9-14(24-2)10-8-13;3-1-2-4/h2-9,12,24H,10-11,22H2,1H3,(H,23,26);3-11,21H,1-2H3;1-4H2.
What are the key properties of N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone?
N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone has a molecular weight of 736.88 g/mol, XLogP of 6.58, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone is sourced from PubChem (CID 158330800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).