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

C21H21N3O2 — CID 162755186

IUPACN-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
SMILESCc1c2ccncc2cc2c3cc(C(=O)N[C@@H](C)CO)ccc3n(C)c12
InChIInChI=1S/C21H21N3O2/c1-12(11-25)23-21(26)14-4-5-19-17(8-14)18-9-15-10-22-7-6-16(15)13(2)20(18)24(19)3/h4-10,12,25H,11H2,1-3H3,(H,23,26)/t12-/m0/s1
InChIKeyAVELRZWHJZOQKV-LBPRGKRZSA-N
MW347.42 g/mol
LogP3.30
Rot. Bonds3

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

N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide (PubChem CID 162755186) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
PubChem CID162755186
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
SMILESCc1c2ccncc2cc2c3cc(C(=O)N[C@@H](C)CO)ccc3n(C)c12
InChIInChI=1S/C21H21N3O2/c1-12(11-25)23-21(26)14-4-5-19-17(8-14)18-9-15-10-22-7-6-16(15)13(2)20(18)24(19)3/h4-10,12,25H,11H2,1-3H3,(H,23,26)/t12-/m0/s1
InChIKeyAVELRZWHJZOQKV-LBPRGKRZSA-N
XLogP3.30
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755054
N-(1-amino-1-oxopropan-2-yl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 170937157
N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755179
N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162754842
tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate
CID 162754954
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
N-[2-(dimethylamino)ethyl]-2-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxyacetamide
CID 162755000
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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide (CID 162755186) is N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide is Cc1c2ccncc2cc2c3cc(C(=O)N[C@@H](C)CO)ccc3n(C)c12.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
The InChIKey is AVELRZWHJZOQKV-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-12(11-25)23-21(26)14-4-5-19-17(8-14)18-9-15-10-22-7-6-16(15)13(2)20(18)24(19)3/h4-10,12,25H,11H2,1-3H3,(H,23,26)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide is sourced from PubChem (CID 162755186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).