N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide

C14H16FN5O2 — CID 128972721

IUPACN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2CC(N)=O)nc1
InChIInChI=1S/C14H16FN5O2/c15-10-3-11(20(7-10)8-13(17)21)6-19-14(22)12-2-1-9(4-16)5-18-12/h1-2,5,10-11H,3,6-8H2,(H2,17,21)(H,19,22)/t10-,11-/m0/s1
InChIKeyXKDGRPKZDLNKJH-QWRGUYRKSA-N
MW305.31 g/mol
LogP-0.42
Rot. Bonds5

About N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide

N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide (PubChem CID 128972721) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide
PubChem CID128972721
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2CC(N)=O)nc1
InChIInChI=1S/C14H16FN5O2/c15-10-3-11(20(7-10)8-13(17)21)6-19-14(22)12-2-1-9(4-16)5-18-12/h1-2,5,10-11H,3,6-8H2,(H2,17,21)(H,19,22)/t10-,11-/m0/s1
InChIKeyXKDGRPKZDLNKJH-QWRGUYRKSA-N
XLogP-0.42
TPSA112.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide
CID 128993381
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-hydroxypyridine-2-carboxamide
CID 128974006
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-3-methylpyridine-2-carboxamide
CID 128974591
2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 128971706
N-[[2-(bromomethyl)cyclohexyl]methyl]-5-cyanopyridine-2-carboxamide
CID 114317417
N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
CID 103896383
4-cyano-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]benzamide
CID 128990707
5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
4-cyano-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]benzamide
CID 128974612
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide (CID 128972721) is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2CC(N)=O)nc1.
What is the InChIKey of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is XKDGRPKZDLNKJH-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H16FN5O2/c15-10-3-11(20(7-10)8-13(17)21)6-19-14(22)12-2-1-9(4-16)5-18-12/h1-2,5,10-11H,3,6-8H2,(H2,17,21)(H,19,22)/t10-,11-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide?
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 305.31 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 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]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 128972721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).