4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide

C26H26ClFN4O2 — CID 123884370

IUPAC4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1ccc(-c2cc(C3CCC(=O)N(C)C3)cnc2N)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C26H26ClFN4O2/c1-15(16-4-3-5-20(27)10-16)31-26(34)21-8-6-17(12-23(21)28)22-11-19(13-30-25(22)29)18-7-9-24(33)32(2)14-18/h3-6,8,10-13,15,18H,7,9,14H2,1-2H3,(H2,29,30)(H,31,34)
InChIKeyLMRULKQGHRURQF-UHFFFAOYSA-N
MW480.97 g/mol
LogP4.95
Rot. Bonds5

About 4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide

4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide (PubChem CID 123884370) has the molecular formula C26H26ClFN4O2 and a molecular weight of 480.97 g/mol. Its IUPAC name is 4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
PubChem CID123884370
Molecular FormulaC26H26ClFN4O2
Molecular Weight480.97 g/mol
Exact Mass480.17
IUPAC Name4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1ccc(-c2cc(C3CCC(=O)N(C)C3)cnc2N)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C26H26ClFN4O2/c1-15(16-4-3-5-20(27)10-16)31-26(34)21-8-6-17(12-23(21)28)22-11-19(13-30-25(22)29)18-7-9-24(33)32(2)14-18/h3-6,8,10-13,15,18H,7,9,14H2,1-2H3,(H2,29,30)(H,31,34)
InChIKeyLMRULKQGHRURQF-UHFFFAOYSA-N
XLogP4.95
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-amino-5-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118046160
4-[2-amino-5-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 123548597
4-[2-amino-5-[(4S)-2-hydroxy-1-methylpiperidin-4-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 134504053
N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorobenzamide
CID 134220716
4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 139407135
methyl 3-[6-amino-5-[3-fluoro-4-[(2-hydroxy-1-phenylethyl)carbamoyl]phenyl]-3-pyridinyl]pyrrolidine-1-carboxylate
CID 123447317
4-[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045806
4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one;4-[2-amino-5-(1-methyl-5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 159463905
4-[2-amino-5-(2,3-dimethylimidazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045864
4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol
CID 144840400
4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 123783299
4-[2-amino-5-[(1R)-1-oxo-3,6-dihydro-2H-thiopyran-4-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 137444544

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of 4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide (CID 123884370) is 4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide is CC(NC(=O)c1ccc(-c2cc(C3CCC(=O)N(C)C3)cnc2N)cc1F)c1cccc(Cl)c1.
What is the InChIKey of 4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide?
The InChIKey is LMRULKQGHRURQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN4O2/c1-15(16-4-3-5-20(27)10-16)31-26(34)21-8-6-17(12-23(21)28)22-11-19(13-30-25(22)29)18-7-9-24(33)32(2)14-18/h3-6,8,10-13,15,18H,7,9,14H2,1-2H3,(H2,29,30)(H,31,34).
What are the key properties of 4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide?
4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide has a molecular weight of 480.97 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 123884370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).