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

C13H17FN4O3 — CID 128974006

IUPACN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide
SMILESNC(=O)CN1C[C@@H](F)C[C@H]1CNC(=O)c1ncccc1O
InChIInChI=1S/C13H17FN4O3/c14-8-4-9(18(6-8)7-11(15)20)5-17-13(21)12-10(19)2-1-3-16-12/h1-3,8-9,19H,4-7H2,(H2,15,20)(H,17,21)/t8-,9-/m0/s1
InChIKeyFIOIRISELJUADX-IUCAKERBSA-N
MW296.30 g/mol
LogP-0.59
Rot. Bonds5

About N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide

N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide (PubChem CID 128974006) has the molecular formula C13H17FN4O3 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide
PubChem CID128974006
Molecular FormulaC13H17FN4O3
Molecular Weight296.30 g/mol
Exact Mass296.13
IUPAC NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide
SMILESNC(=O)CN1C[C@@H](F)C[C@H]1CNC(=O)c1ncccc1O
InChIInChI=1S/C13H17FN4O3/c14-8-4-9(18(6-8)7-11(15)20)5-17-13(21)12-10(19)2-1-3-16-12/h1-3,8-9,19H,4-7H2,(H2,15,20)(H,17,21)/t8-,9-/m0/s1
InChIKeyFIOIRISELJUADX-IUCAKERBSA-N
XLogP-0.59
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methylpyridine-2-carboxamide
CID 128974591
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide
CID 128972721
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128967627
2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 128971706
N-(3-amino-3-oxopropyl)-3-hydroxypyridine-2-carboxamide
CID 60924836
3-hydroxypyridine-2-carbohydrazide
CID 45083058
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N,6-dimethylpyridine-2-carboxamide
CID 154799696
N-(1-carbamoylazetidin-3-yl)-3-hydroxypyridine-2-carboxamide
CID 167794029
3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide
CID 107519323
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-hydroxypyridine-2-carboxamide
CID 103819834
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide
CID 56709536
N-[2-[3-(carbamoylamino)pyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
CID 154858868

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide (CID 128974006) is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide is NC(=O)CN1C[C@@H](F)C[C@H]1CNC(=O)c1ncccc1O.
What is the InChIKey of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is FIOIRISELJUADX-IUCAKERBSA-N. The full InChI is InChI=1S/C13H17FN4O3/c14-8-4-9(18(6-8)7-11(15)20)5-17-13(21)12-10(19)2-1-3-16-12/h1-3,8-9,19H,4-7H2,(H2,15,20)(H,17,21)/t8-,9-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide?
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 296.30 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 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]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 128974006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).