N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide

C20H22FN3O2 — CID 97039440

IUPACN-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H](Cc1cccc(F)c1)N1CCCCC1=O)c1ccncc1
InChIInChI=1S/C20H22FN3O2/c21-17-5-3-4-15(12-17)13-18(24-11-2-1-6-19(24)25)14-23-20(26)16-7-9-22-10-8-16/h3-5,7-10,12,18H,1-2,6,11,13-14H2,(H,23,26)/t18-/m0/s1
InChIKeyJWQCULCRXGXDHL-SFHVURJKSA-N
MW355.41 g/mol
LogP2.57
Rot. Bonds6

About N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide

N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide (PubChem CID 97039440) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide
PubChem CID97039440
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H](Cc1cccc(F)c1)N1CCCCC1=O)c1ccncc1
InChIInChI=1S/C20H22FN3O2/c21-17-5-3-4-15(12-17)13-18(24-11-2-1-6-19(24)25)14-23-20(26)16-7-9-22-10-8-16/h3-5,7-10,12,18H,1-2,6,11,13-14H2,(H,23,26)/t18-/m0/s1
InChIKeyJWQCULCRXGXDHL-SFHVURJKSA-N
XLogP2.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-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)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 97039441
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 97039368
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 97039381
N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]furan-2-carboxamide
CID 71784623
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97039442
2-fluoro-N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71784593
3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110403888
N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
CID 71784608
N-[3-(3-fluorophenyl)-2-pyrrol-1-ylpropyl]-6-oxopyran-3-carboxamide
CID 71784681
2-ethoxy-N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]acetamide
CID 71784642
N-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135222520
1-(4-fluorophenyl)-N-[(2S)-3-(3-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclobutane-1-carboxamide
CID 145072009

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide (CID 97039440) is N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide is O=C(NC[C@H](Cc1cccc(F)c1)N1CCCCC1=O)c1ccncc1.
What is the InChIKey of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide?
The InChIKey is JWQCULCRXGXDHL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-17-5-3-4-15(12-17)13-18(24-11-2-1-6-19(24)25)14-23-20(26)16-7-9-22-10-8-16/h3-5,7-10,12,18H,1-2,6,11,13-14H2,(H,23,26)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide?
N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 97039440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).