2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide

C18H15FN4O2 — CID 11660095

IUPAC2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide
SMILESN#CCC(=O)N[C@H](CF)[C@H](O)c1ccc(-c2ccc(C#N)nc2)cc1
InChIInChI=1S/C18H15FN4O2/c19-9-16(23-17(24)7-8-20)18(25)13-3-1-12(2-4-13)14-5-6-15(10-21)22-11-14/h1-6,11,16,18,25H,7,9H2,(H,23,24)/t16-,18-/m1/s1
InChIKeyFGZQIZIBPSSFRT-SJLPKXTDSA-N
MW338.34 g/mol
LogP2.02
Rot. Bonds6

About 2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide

2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide (PubChem CID 11660095) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide
PubChem CID11660095
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide
SMILESN#CCC(=O)N[C@H](CF)[C@H](O)c1ccc(-c2ccc(C#N)nc2)cc1
InChIInChI=1S/C18H15FN4O2/c19-9-16(23-17(24)7-8-20)18(25)13-3-1-12(2-4-13)14-5-6-15(10-21)22-11-14/h1-6,11,16,18,25H,7,9H2,(H,23,24)/t16-,18-/m1/s1
InChIKeyFGZQIZIBPSSFRT-SJLPKXTDSA-N
XLogP2.02
TPSA109.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide (CID 11660095) is 2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide is N#CCC(=O)N[C@H](CF)[C@H](O)c1ccc(-c2ccc(C#N)nc2)cc1.
What is the InChIKey of 2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide?
The InChIKey is FGZQIZIBPSSFRT-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-9-16(23-17(24)7-8-20)18(25)13-3-1-12(2-4-13)14-5-6-15(10-21)22-11-14/h1-6,11,16,18,25H,7,9H2,(H,23,24)/t16-,18-/m1/s1.
What are the key properties of 2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide?
2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide has a molecular weight of 338.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 11660095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).