pyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

C20H20N2O2 — CID 43009061

IUPACpyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCC1CCc2[nH]c3ccc(C(=O)OCc4ccccn4)cc3c2C1
InChIInChI=1S/C20H20N2O2/c1-13-5-7-18-16(10-13)17-11-14(6-8-19(17)22-18)20(23)24-12-15-4-2-3-9-21-15/h2-4,6,8-9,11,13,22H,5,7,10,12H2,1H3
InChIKeyMDLQSIQRNOSCJA-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.04
Rot. Bonds3

About pyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

pyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (PubChem CID 43009061) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is pyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
PubChem CID43009061
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Namepyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESCC1CCc2[nH]c3ccc(C(=O)OCc4ccccn4)cc3c2C1
InChIInChI=1S/C20H20N2O2/c1-13-5-7-18-16(10-13)17-11-14(6-8-19(17)22-18)20(23)24-12-15-4-2-3-9-21-15/h2-4,6,8-9,11,13,22H,5,7,10,12H2,1H3
InChIKeyMDLQSIQRNOSCJA-UHFFFAOYSA-N
XLogP4.04
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 16541981
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 9117094
[2-oxo-2-(propan-2-ylamino)ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2649013
[2-oxo-2-(pentan-3-ylamino)ethyl] (6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 51660182
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 42969662
[2-(2-methylpropylamino)-2-oxoethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2649029
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
(6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26538290
[2-(furan-2-ylmethylamino)-2-oxoethyl] (6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 2654493
methyl 3-[[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoate
CID 30805049
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 42902545
[1-oxo-1-(propylamino)propan-2-yl] 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 45351677

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (CID 43009061) is pyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is CC1CCc2[nH]c3ccc(C(=O)OCc4ccccn4)cc3c2C1.
What is the InChIKey of pyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The InChIKey is MDLQSIQRNOSCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-5-7-18-16(10-13)17-11-14(6-8-19(17)22-18)20(23)24-12-15-4-2-3-9-21-15/h2-4,6,8-9,11,13,22H,5,7,10,12H2,1H3.
What are the key properties of pyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
pyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is sourced from PubChem (CID 43009061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).