6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide

C22H26F2N4O2 — CID 131988964

IUPAC6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCC2CCNCC2(F)F)cc(Cc2ccccc2)n1
InChIInChI=1S/C22H26F2N4O2/c1-25-21(30)19-13-16(12-18(28-19)11-15-5-3-2-4-6-15)20(29)27-10-8-17-7-9-26-14-22(17,23)24/h2-6,12-13,17,26H,7-11,14H2,1H3,(H,25,30)(H,27,29)
InChIKeyCODSTZOXKNOXTE-UHFFFAOYSA-N
MW416.47 g/mol
LogP2.40
Rot. Bonds7

About 6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide

6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide (PubChem CID 131988964) has the molecular formula C22H26F2N4O2 and a molecular weight of 416.47 g/mol. Its IUPAC name is 6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide
PubChem CID131988964
Molecular FormulaC22H26F2N4O2
Molecular Weight416.47 g/mol
Exact Mass416.20
IUPAC Name6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCC2CCNCC2(F)F)cc(Cc2ccccc2)n1
InChIInChI=1S/C22H26F2N4O2/c1-25-21(30)19-13-16(12-18(28-19)11-15-5-3-2-4-6-15)20(29)27-10-8-17-7-9-26-14-22(17,23)24/h2-6,12-13,17,26H,7-11,14H2,1H3,(H,25,30)(H,27,29)
InChIKeyCODSTZOXKNOXTE-UHFFFAOYSA-N
XLogP2.40
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide with MolForge

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Related Compounds

4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide
CID 131997123
4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride
CID 153309197
2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide
CID 131997421
6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 138571886
6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
CID 131988817
2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 131997225
tert-butyl 4,4-difluoro-3-[2-[[2-(methylcarbamoyl)-6-[(1S)-1-phenylethyl]pyridine-4-carbonyl]amino]ethyl]piperidine-1-carboxylate
CID 138557146
4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 146818121
4-N-[3-(1,3-dioxan-2-yl)propyl]-2-N-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide;isoindole-1,3-dione
CID 145379851
2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 131988908
6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 138706673
6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
CID 175356691

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide (CID 131988964) is 6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NCCC2CCNCC2(F)F)cc(Cc2ccccc2)n1.
What is the InChIKey of 6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is CODSTZOXKNOXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O2/c1-25-21(30)19-13-16(12-18(28-19)11-15-5-3-2-4-6-15)20(29)27-10-8-17-7-9-26-14-22(17,23)24/h2-6,12-13,17,26H,7-11,14H2,1H3,(H,25,30)(H,27,29).
What are the key properties of 6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide?
6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 416.47 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 131988964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).