N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide

C23H26N4O2 — CID 10475507

IUPACN-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2c(C(=O)NCCN(C)C)nccc2c(C)c2c1c1cc(O)ccc1n2C
InChIInChI=1S/C23H26N4O2/c1-13-16-8-9-24-21(23(29)25-10-11-26(3)4)19(16)14(2)20-17-12-15(28)6-7-18(17)27(5)22(13)20/h6-9,12,28H,10-11H2,1-5H3,(H,25,29)
InChIKeyIJUPFQIWKMZBSU-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.49
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide

N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide (PubChem CID 10475507) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide
PubChem CID10475507
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2c(C(=O)NCCN(C)C)nccc2c(C)c2c1c1cc(O)ccc1n2C
InChIInChI=1S/C23H26N4O2/c1-13-16-8-9-24-21(23(29)25-10-11-26(3)4)19(16)14(2)20-17-12-15(28)6-7-18(17)27(5)22(13)20/h6-9,12,28H,10-11H2,1-5H3,(H,25,29)
InChIKeyIJUPFQIWKMZBSU-UHFFFAOYSA-N
XLogP3.49
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide (CID 10475507) is N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide is Cc1c2c(C(=O)NCCN(C)C)nccc2c(C)c2c1c1cc(O)ccc1n2C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide?
The InChIKey is IJUPFQIWKMZBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-13-16-8-9-24-21(23(29)25-10-11-26(3)4)19(16)14(2)20-17-12-15(28)6-7-18(17)27(5)22(13)20/h6-9,12,28H,10-11H2,1-5H3,(H,25,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide?
N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.49, 4 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-5,6,11-trimethylpyrido[4,3-b]carbazole-1-carboxamide is sourced from PubChem (CID 10475507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).