1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C20H22BrFN4O2 — CID 55838037

IUPAC1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCc2ccc(F)cc2)CC1)Nc1ccc(Br)cn1
InChIInChI=1S/C20H22BrFN4O2/c21-16-3-6-18(23-12-16)25-19(27)13-26-9-7-15(8-10-26)20(28)24-11-14-1-4-17(22)5-2-14/h1-6,12,15H,7-11,13H2,(H,24,28)(H,23,25,27)
InChIKeyZQFCGBDQSBIWGH-UHFFFAOYSA-N
MW449.32 g/mol
LogP2.95
Rot. Bonds6

About 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 55838037) has the molecular formula C20H22BrFN4O2 and a molecular weight of 449.32 g/mol. Its IUPAC name is 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID55838037
Molecular FormulaC20H22BrFN4O2
Molecular Weight449.32 g/mol
Exact Mass448.09
IUPAC Name1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)NCc2ccc(F)cc2)CC1)Nc1ccc(Br)cn1
InChIInChI=1S/C20H22BrFN4O2/c21-16-3-6-18(23-12-16)25-19(27)13-26-9-7-15(8-10-26)20(28)24-11-14-1-4-17(22)5-2-14/h1-6,12,15H,7-11,13H2,(H,24,28)(H,23,25,27)
InChIKeyZQFCGBDQSBIWGH-UHFFFAOYSA-N
XLogP2.95
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-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

Acetamide, N-((3-(2-((((5-bromo-2-pyridinyl)amino)thioxomethyl)amino)ethyl)-2,4-difluorophenyl)methyl)-
CID 3001146
N-(2-bromophenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CID 4207409
1-(5-Bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,6-difluorophenyl]ethyl}urea
CID 469200
6-bromo-1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 101882735
N-(5-fluoro-2-methylphenyl)-2-[4-(2-pyridinyl)piperazino]acetamide
CID 4568965
4-fluoro-N-[3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 16278323
2-bromo-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 18106926
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18107076
(2E)-N-(5-bromopyridin-2-yl)-3-phenylprop-2-enamide
CID 691129
N-{4-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]pentan-2-yl}cyclohexanecarboxamide
CID 9550400
N-(6-Amino-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 10548542
4-(3-bromopyridin-2-yl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carboxamide
CID 21037604

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 55838037) is 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(CN1CCC(C(=O)NCc2ccc(F)cc2)CC1)Nc1ccc(Br)cn1.
What is the InChIKey of 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ZQFCGBDQSBIWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrFN4O2/c21-16-3-6-18(23-12-16)25-19(27)13-26-9-7-15(8-10-26)20(28)24-11-14-1-4-17(22)5-2-14/h1-6,12,15H,7-11,13H2,(H,24,28)(H,23,25,27).
What are the key properties of 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 449.32 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55838037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).