N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C17H20N4O2 — CID 129006335

IUPACN-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN1CC[C@@H](CNC(=O)c2ccc[nH]c2=O)[C@@H]1c1cccnc1
InChIInChI=1S/C17H20N4O2/c1-21-9-6-13(15(21)12-4-2-7-18-10-12)11-20-17(23)14-5-3-8-19-16(14)22/h2-5,7-8,10,13,15H,6,9,11H2,1H3,(H,19,22)(H,20,23)/t13-,15-/m0/s1
InChIKeyNNHIBLHGDDXJPY-ZFWWWQNUSA-N
MW312.37 g/mol
LogP1.19
Rot. Bonds4

About N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 129006335) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID129006335
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN1CC[C@@H](CNC(=O)c2ccc[nH]c2=O)[C@@H]1c1cccnc1
InChIInChI=1S/C17H20N4O2/c1-21-9-6-13(15(21)12-4-2-7-18-10-12)11-20-17(23)14-5-3-8-19-16(14)22/h2-5,7-8,10,13,15H,6,9,11H2,1H3,(H,19,22)(H,20,23)/t13-,15-/m0/s1
InChIKeyNNHIBLHGDDXJPY-ZFWWWQNUSA-N
XLogP1.19
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 129006335) is N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is CN1CC[C@@H](CNC(=O)c2ccc[nH]c2=O)[C@@H]1c1cccnc1.
What is the InChIKey of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NNHIBLHGDDXJPY-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21-9-6-13(15(21)12-4-2-7-18-10-12)11-20-17(23)14-5-3-8-19-16(14)22/h2-5,7-8,10,13,15H,6,9,11H2,1H3,(H,19,22)(H,20,23)/t13-,15-/m0/s1.
What are the key properties of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 129006335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).