N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide

C21H26FN3O3 — CID 172667879

IUPACN-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCCOc1ccccc1F
InChIInChI=1S/C21H26FN3O3/c1-15-8-11-25(14-16-5-4-9-23-13-16)21(27)19(15)20(26)24-10-12-28-18-7-3-2-6-17(18)22/h2-3,6-8,11,16,23H,4-5,9-10,12-14H2,1H3,(H,24,26)
InChIKeyUWCHXWFRPYVIHF-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.10
Rot. Bonds7

About N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172667879) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID172667879
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCCOc1ccccc1F
InChIInChI=1S/C21H26FN3O3/c1-15-8-11-25(14-16-5-4-9-23-13-16)21(27)19(15)20(26)24-10-12-28-18-7-3-2-6-17(18)22/h2-3,6-8,11,16,23H,4-5,9-10,12-14H2,1H3,(H,24,26)
InChIKeyUWCHXWFRPYVIHF-UHFFFAOYSA-N
XLogP2.10
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172660585
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912715
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172664558
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172666932
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172658238
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913376
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 172673090
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172664100
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172911176
N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 172673934
N-[3-(4-chloropyrazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172910581

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (CID 172667879) is N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCCOc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is UWCHXWFRPYVIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-15-8-11-25(14-16-5-4-9-23-13-16)21(27)19(15)20(26)24-10-12-28-18-7-3-2-6-17(18)22/h2-3,6-8,11,16,23H,4-5,9-10,12-14H2,1H3,(H,24,26).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172667879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).