N-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide

C25H23N5O2 — CID 56933510

IUPACN-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c([nH]c3ccccc32)c(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C25H23N5O2/c1-30(2)12-11-26-25(32)21-13-17-15-7-4-6-10-20(15)28-22(17)23(29-21)24(31)18-14-27-19-9-5-3-8-16(18)19/h3-10,13-14,27-28H,11-12H2,1-2H3,(H,26,32)
InChIKeyAUDQJMFYGFRHMZ-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.72
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide

N-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 56933510) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID56933510
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c([nH]c3ccccc32)c(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C25H23N5O2/c1-30(2)12-11-26-25(32)21-13-17-15-7-4-6-10-20(15)28-22(17)23(29-21)24(31)18-14-27-19-9-5-3-8-16(18)19/h3-10,13-14,27-28H,11-12H2,1-2H3,(H,26,32)
InChIKeyAUDQJMFYGFRHMZ-UHFFFAOYSA-N
XLogP3.72
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 155539998
N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 166760645
6-N-[2-(dimethylamino)ethyl]-2-N-[2-(1H-indol-3-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109096308
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 156515483
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 170990325
N-[2-(dimethylamino)ethyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109185316
methyl 1-(diethylcarbamoyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 146382280
N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide
CID 62249892
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109301265
N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 153312546
1-O-ethyl 3-O-methyl 9H-pyrido[3,4-b]indole-1,3-dicarboxylate
CID 102040877

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide (CID 56933510) is N-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide is CN(C)CCNC(=O)c1cc2c([nH]c3ccccc32)c(C(=O)c2c[nH]c3ccccc23)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is AUDQJMFYGFRHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-30(2)12-11-26-25(32)21-13-17-15-7-4-6-10-20(15)28-22(17)23(29-21)24(31)18-14-27-19-9-5-3-8-16(18)19/h3-10,13-14,27-28H,11-12H2,1-2H3,(H,26,32).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 56933510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).