N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide

C27H20N2O2 — CID 134153074

IUPACN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
SMILESCc1cc(-c2ccc(CNC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2)ccn1
InChIInChI=1S/C27H20N2O2/c1-17-14-20(12-13-28-17)19-8-6-18(7-9-19)16-29-27(31)21-10-11-23-22-4-2-3-5-24(22)26(30)25(23)15-21/h2-15H,16H2,1H3,(H,29,31)
InChIKeyYWCRALSBIZLTRU-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.20
Rot. Bonds4

About N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide

N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide (PubChem CID 134153074) has the molecular formula C27H20N2O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
PubChem CID134153074
Molecular FormulaC27H20N2O2
Molecular Weight404.47 g/mol
Exact Mass404.15
IUPAC NameN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
SMILESCc1cc(-c2ccc(CNC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2)ccn1
InChIInChI=1S/C27H20N2O2/c1-17-14-20(12-13-28-17)19-8-6-18(7-9-19)16-29-27(31)21-10-11-23-22-4-2-3-5-24(22)26(30)25(23)15-21/h2-15H,16H2,1H3,(H,29,31)
InChIKeyYWCRALSBIZLTRU-UHFFFAOYSA-N
XLogP5.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide?
The IUPAC name of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide (CID 134153074) is N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide.
What is the SMILES notation for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide?
The canonical SMILES for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide is Cc1cc(-c2ccc(CNC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2)ccn1.
What is the InChIKey of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide?
The InChIKey is YWCRALSBIZLTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O2/c1-17-14-20(12-13-28-17)19-8-6-18(7-9-19)16-29-27(31)21-10-11-23-22-4-2-3-5-24(22)26(30)25(23)15-21/h2-15H,16H2,1H3,(H,29,31).
What are the key properties of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide?
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-9-oxofluorene-2-carboxamide is sourced from PubChem (CID 134153074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).