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

C14H19FN4O3 — CID 154796623

IUPACN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1CC(N)=O)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C14H19FN4O3/c1-18(14(22)11-3-2-4-17-13(11)21)7-10-5-9(15)6-19(10)8-12(16)20/h2-4,9-10H,5-8H2,1H3,(H2,16,20)(H,17,21)/t9-,10-/m0/s1
InChIKeyZSMHIMHSZQGBDY-UWVGGRQHSA-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-2-oxo-1H-pyridine-3-carboxamide

N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 154796623) 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-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID154796623
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-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1CC(N)=O)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C14H19FN4O3/c1-18(14(22)11-3-2-4-17-13(11)21)7-10-5-9(15)6-19(10)8-12(16)20/h2-4,9-10H,5-8H2,1H3,(H2,16,20)(H,17,21)/t9-,10-/m0/s1
InChIKeyZSMHIMHSZQGBDY-UWVGGRQHSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 154796623) is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-2-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-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide is CN(C[C@@H]1C[C@H](F)CN1CC(N)=O)C(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZSMHIMHSZQGBDY-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H19FN4O3/c1-18(14(22)11-3-2-4-17-13(11)21)7-10-5-9(15)6-19(10)8-12(16)20/h2-4,9-10H,5-8H2,1H3,(H2,16,20)(H,17,21)/t9-,10-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-2-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-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 154796623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).