N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide

C19H22ClN3O2 — CID 126448414

IUPACN-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H22ClN3O2/c20-16-8-6-15(7-9-16)17(22-10-3-4-11-22)13-21-18(24)14-23-12-2-1-5-19(23)25/h1-2,5-9,12,17H,3-4,10-11,13-14H2,(H,21,24)/t17-/m0/s1
InChIKeyAYVBYYHBSLISFQ-KRWDZBQOSA-N
MW359.86 g/mol
LogP2.45
Rot. Bonds6

About N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide

N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 126448414) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID126448414
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H22ClN3O2/c20-16-8-6-15(7-9-16)17(22-10-3-4-11-22)13-21-18(24)14-23-12-2-1-5-19(23)25/h1-2,5-9,12,17H,3-4,10-11,13-14H2,(H,21,24)/t17-/m0/s1
InChIKeyAYVBYYHBSLISFQ-KRWDZBQOSA-N
XLogP2.45
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175141
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 78791561
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 94454428
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
CID 125158955
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 125174182
N-[2-(4-chlorophenoxy)propyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71993778
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 111427460
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide
CID 125157433
N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide
CID 118792707
2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide
CID 125445207
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide
CID 118768790
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 125440898

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide (CID 126448414) is N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide is O=C(Cn1ccccc1=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is AYVBYYHBSLISFQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-16-8-6-15(7-9-16)17(22-10-3-4-11-22)13-21-18(24)14-23-12-2-1-5-19(23)25/h1-2,5-9,12,17H,3-4,10-11,13-14H2,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 359.86 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 126448414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).