N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide

C17H17N3O3 — CID 95589689

IUPACN-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H17N3O3/c21-15-7-6-13(10-18-15)16(22)19-14-8-9-20(17(14)23)11-12-4-2-1-3-5-12/h1-7,10,14H,8-9,11H2,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyMFDFADFIFVOZHD-CQSZACIVSA-N
MW311.34 g/mol
LogP0.91
Rot. Bonds4

About N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 95589689) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID95589689
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H17N3O3/c21-15-7-6-13(10-18-15)16(22)19-14-8-9-20(17(14)23)11-12-4-2-1-3-5-12/h1-7,10,14H,8-9,11H2,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyMFDFADFIFVOZHD-CQSZACIVSA-N
XLogP0.91
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 95589689) is N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide is O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MFDFADFIFVOZHD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-15-7-6-13(10-18-15)16(22)19-14-8-9-20(17(14)23)11-12-4-2-1-3-5-12/h1-7,10,14H,8-9,11H2,(H,18,21)(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95589689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).