N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C20H21N5O3 — CID 38756771

IUPACN-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESN#Cc1ccc(NCCNC(=O)COc2cccc(N3CCCC3=O)c2)nc1
InChIInChI=1S/C20H21N5O3/c21-12-15-6-7-18(24-13-15)22-8-9-23-19(26)14-28-17-4-1-3-16(11-17)25-10-2-5-20(25)27/h1,3-4,6-7,11,13H,2,5,8-10,14H2,(H,22,24)(H,23,26)
InChIKeyYWSSDPMIIFPRBN-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.69
Rot. Bonds8

About N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 38756771) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID38756771
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESN#Cc1ccc(NCCNC(=O)COc2cccc(N3CCCC3=O)c2)nc1
InChIInChI=1S/C20H21N5O3/c21-12-15-6-7-18(24-13-15)22-8-9-23-19(26)14-28-17-4-1-3-16(11-17)25-10-2-5-20(25)27/h1,3-4,6-7,11,13H,2,5,8-10,14H2,(H,22,24)(H,23,26)
InChIKeyYWSSDPMIIFPRBN-UHFFFAOYSA-N
XLogP1.69
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
2-(4-tert-butylphenoxy)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39517699
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87005089
N-[(4-acetamidophenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18154204
N-(2,2-dimethyl-1-phenylpropyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78864739
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728487
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 47014571
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550
N-[2-(3-chlorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 27838911

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 38756771) is N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is N#Cc1ccc(NCCNC(=O)COc2cccc(N3CCCC3=O)c2)nc1.
What is the InChIKey of N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is YWSSDPMIIFPRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c21-12-15-6-7-18(24-13-15)22-8-9-23-19(26)14-28-17-4-1-3-16(11-17)25-10-2-5-20(25)27/h1,3-4,6-7,11,13H,2,5,8-10,14H2,(H,22,24)(H,23,26).
What are the key properties of N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 38756771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).