methyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate

C22H24N2O4 — CID 71285154

IUPACmethyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCCc1c(-c2ccc3c(c2)c2c(n3C)CCCC2)[nH]c(=O)c(C(=O)OC)c1O
InChIInChI=1S/C22H24N2O4/c1-4-13-19(23-21(26)18(20(13)25)22(27)28-3)12-9-10-17-15(11-12)14-7-5-6-8-16(14)24(17)2/h9-11H,4-8H2,1-3H3,(H2,23,25,26)
InChIKeyRPNCNTMYVXTJCP-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.47
Rot. Bonds3

About methyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate

methyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 71285154) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate
PubChem CID71285154
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate
SMILESCCc1c(-c2ccc3c(c2)c2c(n3C)CCCC2)[nH]c(=O)c(C(=O)OC)c1O
InChIInChI=1S/C22H24N2O4/c1-4-13-19(23-21(26)18(20(13)25)22(27)28-3)12-9-10-17-15(11-12)14-7-5-6-8-16(14)24(17)2/h9-11H,4-8H2,1-3H3,(H2,23,25,26)
InChIKeyRPNCNTMYVXTJCP-UHFFFAOYSA-N
XLogP3.47
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate (CID 71285154) is methyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate is CCc1c(-c2ccc3c(c2)c2c(n3C)CCCC2)[nH]c(=O)c(C(=O)OC)c1O.
What is the InChIKey of methyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is RPNCNTMYVXTJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-13-19(23-21(26)18(20(13)25)22(27)28-3)12-9-10-17-15(11-12)14-7-5-6-8-16(14)24(17)2/h9-11H,4-8H2,1-3H3,(H2,23,25,26).
What are the key properties of methyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate?
methyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-4-hydroxy-6-(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 71285154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).