4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide

C22H24FN3O — CID 24718292

IUPAC4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCCc1c(C)c(C(=O)NCc2cccnc2)n(Cc2ccccc2F)c1C
InChIInChI=1S/C22H24FN3O/c1-4-19-15(2)21(22(27)25-13-17-8-7-11-24-12-17)26(16(19)3)14-18-9-5-6-10-20(18)23/h5-12H,4,13-14H2,1-3H3,(H,25,27)
InChIKeyXDVLXCUFIPXHLJ-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.18
Rot. Bonds6

About 4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide

4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 24718292) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID24718292
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCCc1c(C)c(C(=O)NCc2cccnc2)n(Cc2ccccc2F)c1C
InChIInChI=1S/C22H24FN3O/c1-4-19-15(2)21(22(27)25-13-17-8-7-11-24-12-17)26(16(19)3)14-18-9-5-6-10-20(18)23/h5-12H,4,13-14H2,1-3H3,(H,25,27)
InChIKeyXDVLXCUFIPXHLJ-UHFFFAOYSA-N
XLogP4.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 42810102
1-[(2,4-difluorophenyl)methyl]-4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethylpyrrole-2-carboxamide
CID 42810113
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108985083
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 21156621
2-(2-fluorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 122175341
4-ethyl-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide
CID 42810306
2-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-3-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46003863
2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258815
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide (CID 24718292) is 4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide is CCc1c(C)c(C(=O)NCc2cccnc2)n(Cc2ccccc2F)c1C.
What is the InChIKey of 4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is XDVLXCUFIPXHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-4-19-15(2)21(22(27)25-13-17-8-7-11-24-12-17)26(16(19)3)14-18-9-5-6-10-20(18)23/h5-12H,4,13-14H2,1-3H3,(H,25,27).
What are the key properties of 4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide?
4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 24718292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).