2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide

C18H17FN4O2 — CID 71086754

IUPAC2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(C#N)n1
InChIInChI=1S/C18H17FN4O2/c1-11-6-12(7-14(9-20)22-11)18(24)23-13-2-3-15(16(19)8-13)17-10-21-4-5-25-17/h2-3,6-8,17,21H,4-5,10H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyQHJVJEHMHYPQPH-QGZVFWFLSA-N
MW340.36 g/mol
LogP2.31
Rot. Bonds3

About 2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide

2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide (PubChem CID 71086754) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide
PubChem CID71086754
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(C#N)n1
InChIInChI=1S/C18H17FN4O2/c1-11-6-12(7-14(9-20)22-11)18(24)23-13-2-3-15(16(19)8-13)17-10-21-4-5-25-17/h2-3,6-8,17,21H,4-5,10H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyQHJVJEHMHYPQPH-QGZVFWFLSA-N
XLogP2.31
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide (CID 71086754) is 2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(C#N)n1.
What is the InChIKey of 2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide?
The InChIKey is QHJVJEHMHYPQPH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11-6-12(7-14(9-20)22-11)18(24)23-13-2-3-15(16(19)8-13)17-10-21-4-5-25-17/h2-3,6-8,17,21H,4-5,10H2,1H3,(H,23,24)/t17-/m1/s1.
What are the key properties of 2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide?
2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 71086754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).