N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C21H26FN3O2 — CID 72879927

IUPACN-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCC(c2ccc(F)cc2)N2CCCCC2)c(=O)[nH]c1C
InChIInChI=1S/C21H26FN3O2/c1-14-12-18(21(27)24-15(14)2)20(26)23-13-19(25-10-4-3-5-11-25)16-6-8-17(22)9-7-16/h6-9,12,19H,3-5,10-11,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyIVRCEZZWAYJZNN-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 72879927) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID72879927
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCC(c2ccc(F)cc2)N2CCCCC2)c(=O)[nH]c1C
InChIInChI=1S/C21H26FN3O2/c1-14-12-18(21(27)24-15(14)2)20(26)23-13-19(25-10-4-3-5-11-25)16-6-8-17(22)9-7-16/h6-9,12,19H,3-5,10-11,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyIVRCEZZWAYJZNN-UHFFFAOYSA-N
XLogP3.09
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97144404
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyridine-4-carboxamide
CID 118794898
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
2-methyl-6-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)-1H-pyrimidine-5-carboxamide
CID 77093282
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 118782996
2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide
CID 99946846
N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97124958
2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951546
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951537
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-4-methyl-1-pyrimidin-2-ylindole-3-carboxamide
CID 69012733
N-[2-(azepan-1-yl)-2-phenylethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 118786582

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 72879927) is N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C(=O)NCC(c2ccc(F)cc2)N2CCCCC2)c(=O)[nH]c1C.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IVRCEZZWAYJZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-14-12-18(21(27)24-15(14)2)20(26)23-13-19(25-10-4-3-5-11-25)16-6-8-17(22)9-7-16/h6-9,12,19H,3-5,10-11,13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 72879927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).