(2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile

C15H19FN4O — CID 44560140

IUPAC(2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESCC(C)(NCC(=O)N1C[C@@H](F)C[C@H]1C#N)c1ccccn1
InChIInChI=1S/C15H19FN4O/c1-15(2,13-5-3-4-6-18-13)19-9-14(21)20-10-11(16)7-12(20)8-17/h3-6,11-12,19H,7,9-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyGSLSWBGMFHKOFM-RYUDHWBXSA-N
MW290.34 g/mol
LogP1.37
Rot. Bonds4

About (2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile

(2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile (PubChem CID 44560140) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile
PubChem CID44560140
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name(2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESCC(C)(NCC(=O)N1C[C@@H](F)C[C@H]1C#N)c1ccccn1
InChIInChI=1S/C15H19FN4O/c1-15(2,13-5-3-4-6-18-13)19-9-14(21)20-10-11(16)7-12(20)8-17/h3-6,11-12,19H,7,9-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyGSLSWBGMFHKOFM-RYUDHWBXSA-N
XLogP1.37
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile (CID 44560140) is (2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile is CC(C)(NCC(=O)N1C[C@@H](F)C[C@H]1C#N)c1ccccn1.
What is the InChIKey of (2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is GSLSWBGMFHKOFM-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-15(2,13-5-3-4-6-18-13)19-9-14(21)20-10-11(16)7-12(20)8-17/h3-6,11-12,19H,7,9-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile?
(2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 290.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-1-[2-(2-pyridin-2-ylpropan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 44560140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).