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

C14H19FN4O2 — CID 128974591

IUPACN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC[C@@H]1C[C@H](F)CN1CC(N)=O
InChIInChI=1S/C14H19FN4O2/c1-9-3-2-4-17-13(9)14(21)18-6-11-5-10(15)7-19(11)8-12(16)20/h2-4,10-11H,5-8H2,1H3,(H2,16,20)(H,18,21)/t10-,11-/m0/s1
InChIKeyNPTDVYDGTSSOGW-QWRGUYRKSA-N
MW294.33 g/mol
LogP0.02
Rot. Bonds5

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

N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methylpyridine-2-carboxamide (PubChem CID 128974591) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methylpyridine-2-carboxamide
PubChem CID128974591
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC[C@@H]1C[C@H](F)CN1CC(N)=O
InChIInChI=1S/C14H19FN4O2/c1-9-3-2-4-17-13(9)14(21)18-6-11-5-10(15)7-19(11)8-12(16)20/h2-4,10-11H,5-8H2,1H3,(H2,16,20)(H,18,21)/t10-,11-/m0/s1
InChIKeyNPTDVYDGTSSOGW-QWRGUYRKSA-N
XLogP0.02
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide
CID 128974006
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-[[(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]-N,6-dimethylpyridine-2-carboxamide
CID 154799696
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 114317374
N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 62340960
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117
3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide
CID 107519323
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide
CID 95189282
N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
CID 115283439
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940244

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methylpyridine-2-carboxamide (CID 128974591) is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NC[C@@H]1C[C@H](F)CN1CC(N)=O.
What is the InChIKey of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methylpyridine-2-carboxamide?
The InChIKey is NPTDVYDGTSSOGW-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-9-3-2-4-17-13(9)14(21)18-6-11-5-10(15)7-19(11)8-12(16)20/h2-4,10-11H,5-8H2,1H3,(H2,16,20)(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]-3-methylpyridine-2-carboxamide?
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methylpyridine-2-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 0.02, 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]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 128974591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).