N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide

C26H20FN3O — CID 134132895

IUPACN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2F)ccn1
InChIInChI=1S/C26H20FN3O/c1-16-10-19(8-9-28-16)25-24(27)11-17(14-29-25)15-30-26(31)20-6-7-23-21(13-20)12-18-4-2-3-5-22(18)23/h2-11,13-14H,12,15H2,1H3,(H,30,31)
InChIKeyTUMHUJUTBSNGPC-UHFFFAOYSA-N
MW409.46 g/mol
LogP5.09
Rot. Bonds4

About N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide

N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide (PubChem CID 134132895) has the molecular formula C26H20FN3O and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide
PubChem CID134132895
Molecular FormulaC26H20FN3O
Molecular Weight409.46 g/mol
Exact Mass409.16
IUPAC NameN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2F)ccn1
InChIInChI=1S/C26H20FN3O/c1-16-10-19(8-9-28-16)25-24(27)11-17(14-29-25)15-30-26(31)20-6-7-23-21(13-20)12-18-4-2-3-5-22(18)23/h2-11,13-14H,12,15H2,1H3,(H,30,31)
InChIKeyTUMHUJUTBSNGPC-UHFFFAOYSA-N
XLogP5.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide?
The IUPAC name of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide (CID 134132895) is N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide.
What is the SMILES notation for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide?
The canonical SMILES for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide is Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)Cc3ccccc3-4)cc2F)ccn1.
What is the InChIKey of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide?
The InChIKey is TUMHUJUTBSNGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O/c1-16-10-19(8-9-28-16)25-24(27)11-17(14-29-25)15-30-26(31)20-6-7-23-21(13-20)12-18-4-2-3-5-22(18)23/h2-11,13-14H,12,15H2,1H3,(H,30,31).
What are the key properties of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide?
N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9H-fluorene-2-carboxamide is sourced from PubChem (CID 134132895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).