2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile

C17H17FN4O — CID 135550601

IUPAC2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(N)nc(-c2ccccc2O)c(F)c1C1CCCNC1
InChIInChI=1S/C17H17FN4O/c18-15-14(10-4-3-7-21-9-10)12(8-19)17(20)22-16(15)11-5-1-2-6-13(11)23/h1-2,5-6,10,21,23H,3-4,7,9H2,(H2,20,22)
InChIKeyXYNCCQCQBYXZIL-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.51
Rot. Bonds2

About 2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile

2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile (PubChem CID 135550601) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
PubChem CID135550601
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(N)nc(-c2ccccc2O)c(F)c1C1CCCNC1
InChIInChI=1S/C17H17FN4O/c18-15-14(10-4-3-7-21-9-10)12(8-19)17(20)22-16(15)11-5-1-2-6-13(11)23/h1-2,5-6,10,21,23H,3-4,7,9H2,(H2,20,22)
InChIKeyXYNCCQCQBYXZIL-UHFFFAOYSA-N
XLogP2.51
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile (CID 135550601) is 2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile is N#Cc1c(N)nc(-c2ccccc2O)c(F)c1C1CCCNC1.
What is the InChIKey of 2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
The InChIKey is XYNCCQCQBYXZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-15-14(10-4-3-7-21-9-10)12(8-19)17(20)22-16(15)11-5-1-2-6-13(11)23/h1-2,5-6,10,21,23H,3-4,7,9H2,(H2,20,22).
What are the key properties of 2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile has a molecular weight of 312.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 135550601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).