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

C104H104Cl4F4N16O10 — CID 159599306

IUPAC4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
SMILESCN1CC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)c2)CCC1=O.CN1C[C@@H](c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)c2)CCC1=O.C[C@@H](NC(=O)c1ccc(-c2cc([C@@H]3CCN(C)C(=O)C3)cnc2N)cc1F)c1cccc(Cl)c1.C[C@@H](NC(=O)c1ccc(-c2cc([C@H]3CCN(C)C(=O)C3)cnc2N)cc1F)c1cccc(Cl)c1
InChIInChI=1S/2C26H26ClFN4O3.2C26H26ClFN4O2/c2*1-32-13-17(6-8-24(32)34)18-10-21(25(29)30-12-18)15-5-7-20(22(28)11-15)26(35)31-23(14-33)16-3-2-4-19(27)9-16;2*1-15(16-4-3-5-20(27)10-16)31-26(34)21-7-6-18(12-23(21)28)22-11-19(14-30-25(22)29)17-8-9-32(2)24(33)13-17/h2*2-5,7,9-12,17,23,33H,6,8,13-14H2,1H3,(H2,29,30)(H,31,35);2*3-7,10-12,14-15,17H,8-9,13H2,1-2H3,(H2,29,30)(H,31,34)/t17?,23-;17-,23+;15-,17+;15-,17-/m1011/s1
InChIKeyMLGLFIAAKBVDBT-JPBVPXIQSA-N
MW1955.88 g/mol
LogP17.75
Rot. Bonds22

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

4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide (PubChem CID 159599306) has the molecular formula C104H104Cl4F4N16O10 and a molecular weight of 1955.88 g/mol. Its IUPAC name is 4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
PubChem CID159599306
Molecular FormulaC104H104Cl4F4N16O10
Molecular Weight1955.88 g/mol
Exact Mass1952.68
IUPAC Name4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
SMILESCN1CC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)c2)CCC1=O.CN1C[C@@H](c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)c2)CCC1=O.C[C@@H](NC(=O)c1ccc(-c2cc([C@@H]3CCN(C)C(=O)C3)cnc2N)cc1F)c1cccc(Cl)c1.C[C@@H](NC(=O)c1ccc(-c2cc([C@H]3CCN(C)C(=O)C3)cnc2N)cc1F)c1cccc(Cl)c1
InChIInChI=1S/2C26H26ClFN4O3.2C26H26ClFN4O2/c2*1-32-13-17(6-8-24(32)34)18-10-21(25(29)30-12-18)15-5-7-20(22(28)11-15)26(35)31-23(14-33)16-3-2-4-19(27)9-16;2*1-15(16-4-3-5-20(27)10-16)31-26(34)21-7-6-18(12-23(21)28)22-11-19(14-30-25(22)29)17-8-9-32(2)24(33)13-17/h2*2-5,7,9-12,17,23,33H,6,8,13-14H2,1H3,(H2,29,30)(H,31,35);2*3-7,10-12,14-15,17H,8-9,13H2,1-2H3,(H2,29,30)(H,31,34)/t17?,23-;17-,23+;15-,17+;15-,17-/m1011/s1
InChIKeyMLGLFIAAKBVDBT-JPBVPXIQSA-N
XLogP17.75
TPSA393.74 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001955.88
LogP ≤ 517.75
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze 4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide with MolForge

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Related Compounds

4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045601
4-[2-amino-5-(4-hydroxycyclohexyl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045724
4-(2-amino-5-(6-oxopiperidin-3-yl)pyridin-3-yl)-N-((S)-1-(3-chlorophenyl)-2-hydroxyethyl)-2-fluorobenzamide
CID 118045961
4-[2-amino-5-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045195
4-(2-amino-5-(1-methyl-6-oxopiperidin-3-yl)pyridin-3-yl)-N-((S)-1-(3-chlorophenyl)-2-hydroxyethyl)-2-fluorobenzamide
CID 118045197
4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045454
4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118045650
4-(2-amino-5-(1-methyl-2-oxopiperidin-4-yl)pyridin-3-yl)-N-((S)-1-(3-chlorophenyl)-2-hydroxyethyl)-2-fluorobenzamide
CID 118045651
4-[2-amino-5-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118046159
4-(2-amino-5-(1-methyl-5-oxopyrrolidin-3-yl)pyridin-3-yl)-N-((S)-1-(3-chlorophenyl)-2-hydroxyethyl)-2-fluorobenzamide
CID 118046160
4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118046273
4-[2-amino-5-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 118046746

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The IUPAC name of 4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide (CID 159599306) is 4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide.
What is the SMILES notation for 4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The canonical SMILES for 4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide is CN1CC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)c2)CCC1=O.CN1C[C@@H](c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)c2)CCC1=O.C[C@@H](NC(=O)c1ccc(-c2cc([C@@H]3CCN(C)C(=O)C3)cnc2N)cc1F)c1cccc(Cl)c1.C[C@@H](NC(=O)c1ccc(-c2cc([C@H]3CCN(C)C(=O)C3)cnc2N)cc1F)c1cccc(Cl)c1.
What is the InChIKey of 4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The InChIKey is MLGLFIAAKBVDBT-JPBVPXIQSA-N. The full InChI is InChI=1S/2C26H26ClFN4O3.2C26H26ClFN4O2/c2*1-32-13-17(6-8-24(32)34)18-10-21(25(29)30-12-18)15-5-7-20(22(28)11-15)26(35)31-23(14-33)16-3-2-4-19(27)9-16;2*1-15(16-4-3-5-20(27)10-16)31-26(34)21-7-6-18(12-23(21)28)22-11-19(14-30-25(22)29)17-8-9-32(2)24(33)13-17/h2*2-5,7,9-12,17,23,33H,6,8,13-14H2,1H3,(H2,29,30)(H,31,35);2*3-7,10-12,14-15,17H,8-9,13H2,1-2H3,(H2,29,30)(H,31,34)/t17?,23-;17-,23+;15-,17+;15-,17-/m1011/s1.
What are the key properties of 4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide has a molecular weight of 1955.88 g/mol, XLogP of 17.75, 22 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-3-pyridinyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]-2-fluorobenzamide;4-[2-amino-5-(1-methyl-6-oxopiperidin-3-yl)-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[2-amino-5-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide is sourced from PubChem (CID 159599306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).