methyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate

C24H20N2O4 — CID 46180205

IUPACmethyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate
SMILESCCn1c2ccccc2c2cc(C(=O)CC(=O)c3cccc(C(=O)OC)n3)ccc21
InChIInChI=1S/C24H20N2O4/c1-3-26-20-10-5-4-7-16(20)17-13-15(11-12-21(17)26)22(27)14-23(28)18-8-6-9-19(25-18)24(29)30-2/h4-13H,3,14H2,1-2H3
InChIKeyVTIOKRXMRNETOP-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.45
Rot. Bonds6

About methyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate

methyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate (PubChem CID 46180205) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is methyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate
PubChem CID46180205
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Namemethyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate
SMILESCCn1c2ccccc2c2cc(C(=O)CC(=O)c3cccc(C(=O)OC)n3)ccc21
InChIInChI=1S/C24H20N2O4/c1-3-26-20-10-5-4-7-16(20)17-13-15(11-12-21(17)26)22(27)14-23(28)18-8-6-9-19(25-18)24(29)30-2/h4-13H,3,14H2,1-2H3
InChIKeyVTIOKRXMRNETOP-UHFFFAOYSA-N
XLogP4.45
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 6-(3-oxo-3-phenylpropanoyl)pyridine-2-carboxylate
CID 91346041
9-ethylcarbazole-3-carboxylic acid
CID 4912869
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CID 7148416
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
9-ethyl-N,N-dimethylcarbazole-3-carboxamide
CID 163964567
1-(9-propylcarbazol-3-yl)butan-1-one
CID 145412526
9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid
CID 59331093
(9-ethylcarbazol-3-yl)-(2-ethylphenyl)methanone
CID 141364067
[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone
CID 155432714
ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate
CID 17179913
(9-ethylcarbazol-3-yl)-trimethylstannane
CID 71421811
methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate
CID 118658750

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate (CID 46180205) is methyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate is CCn1c2ccccc2c2cc(C(=O)CC(=O)c3cccc(C(=O)OC)n3)ccc21.
What is the InChIKey of methyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate?
The InChIKey is VTIOKRXMRNETOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-3-26-20-10-5-4-7-16(20)17-13-15(11-12-21(17)26)22(27)14-23(28)18-8-6-9-19(25-18)24(29)30-2/h4-13H,3,14H2,1-2H3.
What are the key properties of methyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate?
methyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate has a molecular weight of 400.43 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(9-ethylcarbazol-3-yl)-3-oxopropanoyl]pyridine-2-carboxylate is sourced from PubChem (CID 46180205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).