(2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine

C21H23N3O — CID 162754821

IUPAC(2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine
SMILESCN[C@@H](C)COc1ccc2c(c1)c1cc3cnccc3c(C)c1n2C
InChIInChI=1S/C21H23N3O/c1-13(22-3)12-25-16-5-6-20-18(10-16)19-9-15-11-23-8-7-17(15)14(2)21(19)24(20)4/h5-11,13,22H,12H2,1-4H3/t13-/m0/s1
InChIKeyPCNTZDBYKZZEBF-ZDUSSCGKSA-N
MW333.44 g/mol
LogP4.17
Rot. Bonds4

About (2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine

(2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine (PubChem CID 162754821) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine
PubChem CID162754821
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine
SMILESCN[C@@H](C)COc1ccc2c(c1)c1cc3cnccc3c(C)c1n2C
InChIInChI=1S/C21H23N3O/c1-13(22-3)12-25-16-5-6-20-18(10-16)19-9-15-11-23-8-7-17(15)14(2)21(19)24(20)4/h5-11,13,22H,12H2,1-4H3/t13-/m0/s1
InChIKeyPCNTZDBYKZZEBF-ZDUSSCGKSA-N
XLogP4.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine
CID 166986452
2-[1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-yl]isoindole-1,3-dione
CID 166986426
2-[(2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-yl]isoindole-1,3-dione
CID 162755196
5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole
CID 162755227
9-(1H-imidazol-2-ylmethoxy)-5,6-dimethylpyrido[4,3-b]carbazole
CID 162754818
9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole
CID 162754930
9-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole
CID 162755280
4-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypyridin-2-amine
CID 162755193
N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755054
N-[2-(dimethylamino)ethyl]-2-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxyacetamide
CID 162755000
N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755186
2-(10,11-dimethylpyrido[3,4-b]carbazol-7-yl)oxyethanimidamide
CID 162755037

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine?
The IUPAC name of (2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine (CID 162754821) is (2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine.
What is the SMILES notation for (2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine?
The canonical SMILES for (2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine is CN[C@@H](C)COc1ccc2c(c1)c1cc3cnccc3c(C)c1n2C.
What is the InChIKey of (2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine?
The InChIKey is PCNTZDBYKZZEBF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H23N3O/c1-13(22-3)12-25-16-5-6-20-18(10-16)19-9-15-11-23-8-7-17(15)14(2)21(19)24(20)4/h5-11,13,22H,12H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine?
(2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine has a molecular weight of 333.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine is sourced from PubChem (CID 162754821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).