N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide

C14H19FN4O3 — CID 167866133

IUPACN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1CC(N)=O)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H19FN4O3/c1-18(14(22)9-2-3-13(21)17-5-9)7-11-4-10(15)6-19(11)8-12(16)20/h2-3,5,10-11H,4,6-8H2,1H3,(H2,16,20)(H,17,21)/t10-,11-/m0/s1
InChIKeyLKCUXJRUAGYCMF-QWRGUYRKSA-N
MW310.33 g/mol
LogP-0.66
Rot. Bonds5

About N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide

N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 167866133) has the molecular formula C14H19FN4O3 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID167866133
Molecular FormulaC14H19FN4O3
Molecular Weight310.33 g/mol
Exact Mass310.14
IUPAC NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1CC(N)=O)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H19FN4O3/c1-18(14(22)9-2-3-13(21)17-5-9)7-11-4-10(15)6-19(11)8-12(16)20/h2-3,5,10-11H,4,6-8H2,1H3,(H2,16,20)(H,17,21)/t10-,11-/m0/s1
InChIKeyLKCUXJRUAGYCMF-QWRGUYRKSA-N
XLogP-0.66
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-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-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 167866133) is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide is CN(C[C@@H]1C[C@H](F)CN1CC(N)=O)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LKCUXJRUAGYCMF-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19FN4O3/c1-18(14(22)9-2-3-13(21)17-5-9)7-11-4-10(15)6-19(11)8-12(16)20/h2-3,5,10-11H,4,6-8H2,1H3,(H2,16,20)(H,17,21)/t10-,11-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 310.33 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 167866133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).