tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate

C26H30N4O3 — CID 162754954

IUPACtert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate
SMILESCc1c2ccncc2cc2c3cc(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)ccc3n(C)c12
InChIInChI=1S/C26H30N4O3/c1-15(29-25(32)33-26(3,4)5)13-28-24(31)17-7-8-22-20(11-17)21-12-18-14-27-10-9-19(18)16(2)23(21)30(22)6/h7-12,14-15H,13H2,1-6H3,(H,28,31)(H,29,32)/t15-/m0/s1
InChIKeyAXRVLGKIVGSWQN-HNNXBMFYSA-N
MW446.55 g/mol
LogP4.83
Rot. Bonds4

About tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate

tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate (PubChem CID 162754954) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate
PubChem CID162754954
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Nametert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate
SMILESCc1c2ccncc2cc2c3cc(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)ccc3n(C)c12
InChIInChI=1S/C26H30N4O3/c1-15(29-25(32)33-26(3,4)5)13-28-24(31)17-7-8-22-20(11-17)21-12-18-14-27-10-9-19(18)16(2)23(21)30(22)6/h7-12,14-15H,13H2,1-6H3,(H,28,31)(H,29,32)/t15-/m0/s1
InChIKeyAXRVLGKIVGSWQN-HNNXBMFYSA-N
XLogP4.83
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate with MolForge

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Related Compounds

N-[(2S)-2-(dimethylamino)propyl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162754842
N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755186
N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755054
N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755179
N-(1-amino-1-oxopropan-2-yl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 170937157
N,N,5,6-tetramethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755125
tert-butyl N-(1-benzamidopropan-2-yl)carbamate
CID 177434930
N-[2-(dimethylamino)ethyl]-2-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxyacetamide
CID 162755000
5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole
CID 162755227
ethyl 5,6,11-trimethylpyrido[4,3-b]carbazole-9-carboxylate
CID 156597825
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 tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate (CID 162754954) is tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate is Cc1c2ccncc2cc2c3cc(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)ccc3n(C)c12.
What is the InChIKey of tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate?
The InChIKey is AXRVLGKIVGSWQN-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-15(29-25(32)33-26(3,4)5)13-28-24(31)17-7-8-22-20(11-17)21-12-18-14-27-10-9-19(18)16(2)23(21)30(22)6/h7-12,14-15H,13H2,1-6H3,(H,28,31)(H,29,32)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate has a molecular weight of 446.55 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 162754954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).