N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide

C13H17N3O4 — CID 90624780

IUPACN-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCC(O)Cn2ccccc2=O)N1
InChIInChI=1S/C13H17N3O4/c17-9(8-16-6-2-1-3-12(16)19)7-14-13(20)10-4-5-11(18)15-10/h1-3,6,9-10,17H,4-5,7-8H2,(H,14,20)(H,15,18)
InChIKeyRSBGZQKIEPGDOE-UHFFFAOYSA-N
MW279.30 g/mol
LogP-1.40
Rot. Bonds5

About N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide

N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 90624780) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID90624780
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCC(O)Cn2ccccc2=O)N1
InChIInChI=1S/C13H17N3O4/c17-9(8-16-6-2-1-3-12(16)19)7-14-13(20)10-4-5-11(18)15-10/h1-3,6,9-10,17H,4-5,7-8H2,(H,14,20)(H,15,18)
InChIKeyRSBGZQKIEPGDOE-UHFFFAOYSA-N
XLogP-1.40
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide (CID 90624780) is N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)NCC(O)Cn2ccccc2=O)N1.
What is the InChIKey of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RSBGZQKIEPGDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-9(8-16-6-2-1-3-12(16)19)7-14-13(20)10-4-5-11(18)15-10/h1-3,6,9-10,17H,4-5,7-8H2,(H,14,20)(H,15,18).
What are the key properties of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of -1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 90624780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).