N-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide

C15H18ClN3O3 — CID 90567997

IUPACN-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)C1CC(=O)N(C2CCOCC2)C1
InChIInChI=1S/C15H18ClN3O3/c16-14-12(2-1-5-17-14)18-15(21)10-8-13(20)19(9-10)11-3-6-22-7-4-11/h1-2,5,10-11H,3-4,6-9H2,(H,18,21)
InChIKeyBNAGAJSGRUXRHC-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.70
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide

N-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90567997) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90567997
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)C1CC(=O)N(C2CCOCC2)C1
InChIInChI=1S/C15H18ClN3O3/c16-14-12(2-1-5-17-14)18-15(21)10-8-13(20)19(9-10)11-3-6-22-7-4-11/h1-2,5,10-11H,3-4,6-9H2,(H,18,21)
InChIKeyBNAGAJSGRUXRHC-UHFFFAOYSA-N
XLogP1.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylsulfanylphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567869
(3S)-N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97352252
N-(2-acetamido-3-pyridinyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 75455550
1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 90567826
1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185559
(3R)-1-cyclopentyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364649
1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2959439
N-(3-methylsulfanylphenyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567947
N-[2-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 24514336
1-cyclobutyl-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687616
(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 51630288
(3R)-1-cyclohexyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822798

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 90567997) is N-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccnc1Cl)C1CC(=O)N(C2CCOCC2)C1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BNAGAJSGRUXRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c16-14-12(2-1-5-17-14)18-15(21)10-8-13(20)19(9-10)11-3-6-22-7-4-11/h1-2,5,10-11H,3-4,6-9H2,(H,18,21).
What are the key properties of N-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
N-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 323.78 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90567997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).