N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide

C22H23N3O2 — CID 162755054

IUPACN-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
SMILESCOC[C@H](C)NC(=O)c1ccc2c(c1)c1cc3cnccc3c(C)c1n2C
InChIInChI=1S/C22H23N3O2/c1-13(12-27-4)24-22(26)15-5-6-20-18(9-15)19-10-16-11-23-8-7-17(16)14(2)21(19)25(20)3/h5-11,13H,12H2,1-4H3,(H,24,26)/t13-/m0/s1
InChIKeyIBKZBRMEKASNLS-ZDUSSCGKSA-N
MW361.45 g/mol
LogP3.95
Rot. Bonds4

About N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide

N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide (PubChem CID 162755054) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
PubChem CID162755054
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
SMILESCOC[C@H](C)NC(=O)c1ccc2c(c1)c1cc3cnccc3c(C)c1n2C
InChIInChI=1S/C22H23N3O2/c1-13(12-27-4)24-22(26)15-5-6-20-18(9-15)19-10-16-11-23-8-7-17(16)14(2)21(19)25(20)3/h5-11,13H,12H2,1-4H3,(H,24,26)/t13-/m0/s1
InChIKeyIBKZBRMEKASNLS-ZDUSSCGKSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755186
N-(1-amino-1-oxopropan-2-yl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 170937157
tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate
CID 162754954
N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755179
N,N,5,6-tetramethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755125
(2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine
CID 162754821
N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine
CID 166986452
5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole
CID 162755227
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-[2-(dimethylamino)ethyl]-2-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxyacetamide
CID 162755000
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
4-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypyridin-2-amine
CID 162755193

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide (CID 162755054) is N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide is COC[C@H](C)NC(=O)c1ccc2c(c1)c1cc3cnccc3c(C)c1n2C.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
The InChIKey is IBKZBRMEKASNLS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-13(12-27-4)24-22(26)15-5-6-20-18(9-15)19-10-16-11-23-8-7-17(16)14(2)21(19)25(20)3/h5-11,13H,12H2,1-4H3,(H,24,26)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide is sourced from PubChem (CID 162755054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).