pyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate

C24H24N2O2 — CID 73357166

IUPACpyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate
SMILESCCCCCn1c2ccccc2c2cc(C(=O)OCc3ccccn3)ccc21
InChIInChI=1S/C24H24N2O2/c1-2-3-8-15-26-22-11-5-4-10-20(22)21-16-18(12-13-23(21)26)24(27)28-17-19-9-6-7-14-25-19/h4-7,9-14,16H,2-3,8,15,17H2,1H3
InChIKeyBIYWSSMXBDMETM-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.74
Rot. Bonds7

About pyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate

pyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate (PubChem CID 73357166) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is pyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate
PubChem CID73357166
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Namepyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate
SMILESCCCCCn1c2ccccc2c2cc(C(=O)OCc3ccccn3)ccc21
InChIInChI=1S/C24H24N2O2/c1-2-3-8-15-26-22-11-5-4-10-20(22)21-16-18(12-13-23(21)26)24(27)28-17-19-9-6-7-14-25-19/h4-7,9-14,16H,2-3,8,15,17H2,1H3
InChIKeyBIYWSSMXBDMETM-UHFFFAOYSA-N
XLogP5.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate (CID 73357166) is pyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate is CCCCCn1c2ccccc2c2cc(C(=O)OCc3ccccn3)ccc21.
What is the InChIKey of pyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate?
The InChIKey is BIYWSSMXBDMETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-2-3-8-15-26-22-11-5-4-10-20(22)21-16-18(12-13-23(21)26)24(27)28-17-19-9-6-7-14-25-19/h4-7,9-14,16H,2-3,8,15,17H2,1H3.
What are the key properties of pyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate?
pyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 9-pentylcarbazole-3-carboxylate is sourced from PubChem (CID 73357166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).