4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol

C25H26ClFN4O3 — CID 144840400

IUPAC4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol
SMILESCO.Nc1ncc(C2CCNC(=O)C2)cc1-c1ccc(C(=O)NCc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C24H22ClFN4O2.CH4O/c25-18-3-1-2-14(8-18)12-30-24(32)19-5-4-16(10-21(19)26)20-9-17(13-29-23(20)27)15-6-7-28-22(31)11-15;1-2/h1-5,8-10,13,15H,6-7,11-12H2,(H2,27,29)(H,28,31)(H,30,32);2H,1H3
InChIKeyOPADTJLDYBCDDT-UHFFFAOYSA-N
MW484.96 g/mol
LogP3.66
Rot. Bonds5

About 4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol

4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol (PubChem CID 144840400) has the molecular formula C25H26ClFN4O3 and a molecular weight of 484.96 g/mol. Its IUPAC name is 4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol.

Molecular Properties

Compound Name4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol
PubChem CID144840400
Molecular FormulaC25H26ClFN4O3
Molecular Weight484.96 g/mol
Exact Mass484.17
IUPAC Name4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol
SMILESCO.Nc1ncc(C2CCNC(=O)C2)cc1-c1ccc(C(=O)NCc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C24H22ClFN4O2.CH4O/c25-18-3-1-2-14(8-18)12-30-24(32)19-5-4-16(10-21(19)26)20-9-17(13-29-23(20)27)15-6-7-28-22(31)11-15;1-2/h1-5,8-10,13,15H,6-7,11-12H2,(H2,27,29)(H,28,31)(H,30,32);2H,1H3
InChIKeyOPADTJLDYBCDDT-UHFFFAOYSA-N
XLogP3.66
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.96
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide
CID 144840517
4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 134503855
4-[2-amino-5-(1,1-dioxothian-4-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide
CID 118045524
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-[(3R)-5-oxopyrrolidin-3-yl]-3-pyridinyl]-2-fluorobenzoic acid
CID 125468804
4-[2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide
CID 134216187
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-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 123783299
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-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 123884370
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol?
The IUPAC name of 4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol (CID 144840400) is 4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol.
What is the SMILES notation for 4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol?
The canonical SMILES for 4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol is CO.Nc1ncc(C2CCNC(=O)C2)cc1-c1ccc(C(=O)NCc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol?
The InChIKey is OPADTJLDYBCDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O2.CH4O/c25-18-3-1-2-14(8-18)12-30-24(32)19-5-4-16(10-21(19)26)20-9-17(13-29-23(20)27)15-6-7-28-22(31)11-15;1-2/h1-5,8-10,13,15H,6-7,11-12H2,(H2,27,29)(H,28,31)(H,30,32);2H,1H3.
What are the key properties of 4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol?
4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol has a molecular weight of 484.96 g/mol, XLogP of 3.66, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol is sourced from PubChem (CID 144840400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).