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

C14H19FN4O3 — CID 154798592

IUPACN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2CC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C14H19FN4O3/c1-8-2-9(3-13(21)18-8)14(22)17-5-11-4-10(15)6-19(11)7-12(16)20/h2-3,10-11H,4-7H2,1H3,(H2,16,20)(H,17,22)(H,18,21)/t10-,11-/m0/s1
InChIKeyWCWGAANPSWYRPF-QWRGUYRKSA-N
MW310.33 g/mol
LogP-0.69
Rot. Bonds5

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

N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 154798592) 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]-2-methyl-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
PubChem CID154798592
Molecular FormulaC14H19FN4O3
Molecular Weight310.33 g/mol
Exact Mass310.14
IUPAC NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2CC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C14H19FN4O3/c1-8-2-9(3-13(21)18-8)14(22)17-5-11-4-10(15)6-19(11)7-12(16)20/h2-3,10-11H,4-7H2,1H3,(H2,16,20)(H,17,22)(H,18,21)/t10-,11-/m0/s1
InChIKeyWCWGAANPSWYRPF-QWRGUYRKSA-N
XLogP-0.69
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
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]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide (CID 154798592) is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide is Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2CC(N)=O)cc(=O)[nH]1.
What is the InChIKey of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is WCWGAANPSWYRPF-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19FN4O3/c1-8-2-9(3-13(21)18-8)14(22)17-5-11-4-10(15)6-19(11)7-12(16)20/h2-3,10-11H,4-7H2,1H3,(H2,16,20)(H,17,22)(H,18,21)/t10-,11-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 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]-2-methyl-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 154798592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).