1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide

C24H21F2N3O3 — CID 42238224

IUPAC1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
SMILESO=C(NCc1c(F)cccc1F)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O
InChIInChI=1S/C24H21F2N3O3/c25-20-7-4-8-21(26)17(20)11-27-23(31)18-13-29(12-15-5-2-1-3-6-15)14-19(22(18)30)24(32)28-16-9-10-16/h1-8,13-14,16H,9-12H2,(H,27,31)(H,28,32)
InChIKeyOGALFISJBQTEHX-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.00
Rot. Bonds7

About 1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide

1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide (PubChem CID 42238224) has the molecular formula C24H21F2N3O3 and a molecular weight of 437.45 g/mol. Its IUPAC name is 1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
PubChem CID42238224
Molecular FormulaC24H21F2N3O3
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
SMILESO=C(NCc1c(F)cccc1F)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O
InChIInChI=1S/C24H21F2N3O3/c25-20-7-4-8-21(26)17(20)11-27-23(31)18-13-29(12-15-5-2-1-3-6-15)14-19(22(18)30)24(32)28-16-9-10-16/h1-8,13-14,16H,9-12H2,(H,27,31)(H,28,32)
InChIKeyOGALFISJBQTEHX-UHFFFAOYSA-N
XLogP3.00
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26279029
1-benzyl-3-N-(2,3-dihydro-1H-inden-2-yl)-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 42471213
3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
CID 42482348
5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45250841
1-benzyl-N-cyclopropyl-4-oxo-5-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]pyridine-3-carboxamide
CID 42323111
1-benzyl-N-cyclopropyl-4-oxo-5-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]pyridine-3-carboxamide
CID 98239602
3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45186510
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
N-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide
CID 175680539
3-benzyl-N-[(2,6-difluorophenyl)methyl]-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 41231425
3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide
CID 112522455
[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid
CID 68709667

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide (CID 42238224) is 1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide is O=C(NCc1c(F)cccc1F)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O.
What is the InChIKey of 1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is OGALFISJBQTEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O3/c25-20-7-4-8-21(26)17(20)11-27-23(31)18-13-29(12-15-5-2-1-3-6-15)14-19(22(18)30)24(32)28-16-9-10-16/h1-8,13-14,16H,9-12H2,(H,27,31)(H,28,32).
What are the key properties of 1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?
1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 437.45 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 42238224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).