N-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C20H21F2N3O2 — CID 24794347

IUPACN-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(F)c(CNC(=O)C2CCC(=O)N(Cc3ccccn3)C2)c1F
InChIInChI=1S/C20H21F2N3O2/c1-13-5-7-17(21)16(19(13)22)10-24-20(27)14-6-8-18(26)25(11-14)12-15-4-2-3-9-23-15/h2-5,7,9,14H,6,8,10-12H2,1H3,(H,24,27)
InChIKeyIFKUSLHLYMCUDT-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.72
Rot. Bonds5

About N-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

N-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 24794347) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID24794347
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(F)c(CNC(=O)C2CCC(=O)N(Cc3ccccn3)C2)c1F
InChIInChI=1S/C20H21F2N3O2/c1-13-5-7-17(21)16(19(13)22)10-24-20(27)14-6-8-18(26)25(11-14)12-15-4-2-3-9-23-15/h2-5,7,9,14H,6,8,10-12H2,1H3,(H,24,27)
InChIKeyIFKUSLHLYMCUDT-UHFFFAOYSA-N
XLogP2.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Niaprazine
CID 71919
2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 447221
C3A receptor agonist
CID 44430519
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23646451
1-(3-(N-(Methoxycarbonyl)amino)-3-phenylpropanoyl)-4-((2-methyl-3-pyridyl)cyanomethyl)piperazine
CID 3025824
N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 10425450
N-(cyanomethyl)-4-methyl-2-[3-(pyridin-2-yl)phenyl]pentanamide
CID 10924832
(3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7-methyl-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23647130
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
6-Phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]nicotinamide
CID 59743886
N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-2-carboxamide dihydrochloride
CID 14783879
(4R,5R)-5-amino-1-[2-(pyridin-4-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204466

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 24794347) is N-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is Cc1ccc(F)c(CNC(=O)C2CCC(=O)N(Cc3ccccn3)C2)c1F.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is IFKUSLHLYMCUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-13-5-7-17(21)16(19(13)22)10-24-20(27)14-6-8-18(26)25(11-14)12-15-4-2-3-9-23-15/h2-5,7,9,14H,6,8,10-12H2,1H3,(H,24,27).
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
N-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methylphenyl)methyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24794347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).