N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide

C22H20ClN3O2 — CID 118246944

IUPACN-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
SMILESC[C@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1)[C@H](C(N)=O)c1ccccn1
InChIInChI=1S/C22H20ClN3O2/c1-15(17-10-7-11-18(23)14-17)26(22(28)16-8-3-2-4-9-16)20(21(24)27)19-12-5-6-13-25-19/h2-15,20H,1H3,(H2,24,27)/t15-,20+/m1/s1
InChIKeyPQYWGGKSRYOTAW-QRWLVFNGSA-N
MW393.87 g/mol
LogP4.16
Rot. Bonds6

About N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide

N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide (PubChem CID 118246944) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
PubChem CID118246944
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
SMILESC[C@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1)[C@H](C(N)=O)c1ccccn1
InChIInChI=1S/C22H20ClN3O2/c1-15(17-10-7-11-18(23)14-17)26(22(28)16-8-3-2-4-9-16)20(21(24)27)19-12-5-6-13-25-19/h2-15,20H,1H3,(H2,24,27)/t15-,20+/m1/s1
InChIKeyPQYWGGKSRYOTAW-QRWLVFNGSA-N
XLogP4.16
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 118246949
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 134133885
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 118247039
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574
2-(3-chlorophenyl)-2-pyridin-2-ylethanamine
CID 75357398
1-[(3-chlorophenyl)-pyridin-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3468242
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 118246932
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(2,3-difluorophenyl)ethyl]benzamide
CID 118246986
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate
CID 133364083
6-amino-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62728769
3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide
CID 71937515

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide?
The IUPAC name of N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide (CID 118246944) is N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide.
What is the SMILES notation for N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide?
The canonical SMILES for N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide is C[C@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1)[C@H](C(N)=O)c1ccccn1.
What is the InChIKey of N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide?
The InChIKey is PQYWGGKSRYOTAW-QRWLVFNGSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-15(17-10-7-11-18(23)14-17)26(22(28)16-8-3-2-4-9-16)20(21(24)27)19-12-5-6-13-25-19/h2-15,20H,1H3,(H2,24,27)/t15-,20+/m1/s1.
What are the key properties of N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide?
N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide has a molecular weight of 393.87 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-2-oxo-1-pyridin-2-ylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide is sourced from PubChem (CID 118246944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).