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

C26H18FN3O2 — CID 134149975

IUPACN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2F)ccn1
InChIInChI=1S/C26H18FN3O2/c1-15-10-17(8-9-28-15)24-23(27)11-16(13-29-24)14-30-26(32)18-6-7-20-19-4-2-3-5-21(19)25(31)22(20)12-18/h2-13H,14H2,1H3,(H,30,32)
InChIKeySTHPNWUOZLNVMR-UHFFFAOYSA-N
MW423.45 g/mol
LogP4.73
Rot. Bonds4

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

N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide (PubChem CID 134149975) has the molecular formula C26H18FN3O2 and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide
PubChem CID134149975
Molecular FormulaC26H18FN3O2
Molecular Weight423.45 g/mol
Exact Mass423.14
IUPAC NameN-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide
SMILESCc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2F)ccn1
InChIInChI=1S/C26H18FN3O2/c1-15-10-17(8-9-28-15)24-23(27)11-16(13-29-24)14-30-26(32)18-6-7-20-19-4-2-3-5-21(19)25(31)22(20)12-18/h2-13H,14H2,1H3,(H,30,32)
InChIKeySTHPNWUOZLNVMR-UHFFFAOYSA-N
XLogP4.73
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide with MolForge

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Related Compounds

N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
CID 56597105
N-[(2-ethoxy-4-pyridinyl)methyl]-9-oxofluorene-2-carboxamide
CID 55723662
N-ethyl-9,10-dioxoanthracene-2-carboxamide
CID 102014872
N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide
CID 32637447
N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide
CID 55900128
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
CID 37423564
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide
CID 56598085
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-3-methyl-4-pyrazin-2-ylbenzamide
CID 89457567
6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 118500223
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-methyl-3-pyridinyl]methyl]-6-pyridazin-3-ylpyridine-3-carboxamide
CID 118500228
4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine
CID 129033326
5-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56598625

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide?
The IUPAC name of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide (CID 134149975) is N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide.
What is the SMILES notation for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide?
The canonical SMILES for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide is Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2F)ccn1.
What is the InChIKey of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide?
The InChIKey is STHPNWUOZLNVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O2/c1-15-10-17(8-9-28-15)24-23(27)11-16(13-29-24)14-30-26(32)18-6-7-20-19-4-2-3-5-21(19)25(31)22(20)12-18/h2-13H,14H2,1H3,(H,30,32).
What are the key properties of N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide?
N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide is sourced from PubChem (CID 134149975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).