2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile

C17H18N4O2 — CID 135584962

IUPAC2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2O)nc1N
InChIInChI=1S/C17H18N4O2/c18-9-12-11(10-4-6-20-7-5-10)8-13(21-17(12)19)16-14(22)2-1-3-15(16)23/h1-3,8,10,20,22-23H,4-7H2,(H2,19,21)
InChIKeyKAPKDVLRKQXXCW-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.08
Rot. Bonds2

About 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile

2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile (PubChem CID 135584962) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
PubChem CID135584962
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2O)nc1N
InChIInChI=1S/C17H18N4O2/c18-9-12-11(10-4-6-20-7-5-10)8-13(21-17(12)19)16-14(22)2-1-3-15(16)23/h1-3,8,10,20,22-23H,4-7H2,(H2,19,21)
InChIKeyKAPKDVLRKQXXCW-UHFFFAOYSA-N
XLogP2.08
TPSA115.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile (CID 135584962) is 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile is N#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2O)nc1N.
What is the InChIKey of 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The InChIKey is KAPKDVLRKQXXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c18-9-12-11(10-4-6-20-7-5-10)8-13(21-17(12)19)16-14(22)2-1-3-15(16)23/h1-3,8,10,20,22-23H,4-7H2,(H2,19,21).
What are the key properties of 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 2.08, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 135584962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).