6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide

C17H15FN4O2 — CID 71086924

IUPAC6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide
SMILESN#Cc1cccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)n1
InChIInChI=1S/C17H15FN4O2/c18-13-8-11(16-10-20-6-7-24-16)4-5-14(13)22-17(23)15-3-1-2-12(9-19)21-15/h1-5,8,16,20H,6-7,10H2,(H,22,23)/t16-/m1/s1
InChIKeySTLBETLOVNLVRU-MRXNPFEDSA-N
MW326.33 g/mol
LogP2.01
Rot. Bonds3

About 6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide

6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 71086924) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID71086924
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide
SMILESN#Cc1cccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)n1
InChIInChI=1S/C17H15FN4O2/c18-13-8-11(16-10-20-6-7-24-16)4-5-14(13)22-17(23)15-3-1-2-12(9-19)21-15/h1-5,8,16,20H,6-7,10H2,(H,22,23)/t16-/m1/s1
InChIKeySTLBETLOVNLVRU-MRXNPFEDSA-N
XLogP2.01
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide (CID 71086924) is 6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide is N#Cc1cccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)n1.
What is the InChIKey of 6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is STLBETLOVNLVRU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-13-8-11(16-10-20-6-7-24-16)4-5-14(13)22-17(23)15-3-1-2-12(9-19)21-15/h1-5,8,16,20H,6-7,10H2,(H,22,23)/t16-/m1/s1.
What are the key properties of 6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide?
6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 71086924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).