N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide

C25H30N4O2 — CID 15389009

IUPACN-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide
SMILESCCCc1c(O)ccc2c1c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C
InChIInChI=1S/C25H30N4O2/c1-6-7-17-21(30)9-8-20-22(17)19-14-18-16(15(2)24(19)29(20)5)10-11-26-23(18)25(31)27-12-13-28(3)4/h8-11,14,30H,6-7,12-13H2,1-5H3,(H,27,31)
InChIKeyFQJDVLDWKKMAJM-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.14
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide

N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide (PubChem CID 15389009) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide
PubChem CID15389009
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide
SMILESCCCc1c(O)ccc2c1c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C
InChIInChI=1S/C25H30N4O2/c1-6-7-17-21(30)9-8-20-22(17)19-14-18-16(15(2)24(19)29(20)5)10-11-26-23(18)25(31)27-12-13-28(3)4/h8-11,14,30H,6-7,12-13H2,1-5H3,(H,27,31)
InChIKeyFQJDVLDWKKMAJM-UHFFFAOYSA-N
XLogP4.14
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-8,9-difluoro-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
CID 162755139
N'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide
CID 70151143
benzyl 3-[[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl]oxycarbonylamino]propanoate
CID 10507481
benzyl 4-[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl]oxycarbonyloxybutanoate
CID 10841232
N-[2-(dimethylamino)ethyl]-2-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxyacetamide
CID 162755000
[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium-9-yl] acetate;dihydrochloride
CID 22117406
N-[(2R)-1-(dimethylamino)propan-2-yl]-5,6-dimethyl-9-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide
CID 162754873
N-[1-(dimethylamino)propan-2-yl]-5,6-dimethyl-8-[3-(4-methylpiperazin-1-yl)propoxy]pyrido[4,3-b]carbazole-1-carboxamide
CID 170937140
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406
(E)-but-2-enedioic acid;N-(2,17-dimethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-7-yl)-N',N'-diethylpropane-1,3-diamine
CID 6477752
2-[2-(dimethylamino)ethylcarbamoyl]-N-hydroxypyridin-4-amine oxide;hydrochloride
CID 21141972
9-hydroxy-5-methyl-N-(2-pyrrolidin-1-ylethyl)-6H-pyrido[4,3-b]carbazole-1-carboxamide
CID 18982842

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide (CID 15389009) is N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide is CCCc1c(O)ccc2c1c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide?
The InChIKey is FQJDVLDWKKMAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-6-7-17-21(30)9-8-20-22(17)19-14-18-16(15(2)24(19)29(20)5)10-11-26-23(18)25(31)27-12-13-28(3)4/h8-11,14,30H,6-7,12-13H2,1-5H3,(H,27,31).
What are the key properties of N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide?
N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethyl-10-propylpyrido[4,3-b]carbazole-1-carboxamide is sourced from PubChem (CID 15389009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).