2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile

C26H24FN5O2 — CID 171743976

IUPAC2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2c(C)nc(N3CCC(N)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
InChIInChI=1S/C26H24FN5O2/c1-15-24(17-5-6-23(34-2)22(33)12-17)25(16-3-4-18(13-28)21(27)11-16)20(14-29)26(31-15)32-9-7-19(30)8-10-32/h3-6,11-12,19,33H,7-10,30H2,1-2H3
InChIKeyAWRYHRREIWNGQA-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.25
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile

2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile (PubChem CID 171743976) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile
PubChem CID171743976
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2c(C)nc(N3CCC(N)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O
InChIInChI=1S/C26H24FN5O2/c1-15-24(17-5-6-23(34-2)22(33)12-17)25(16-3-4-18(13-28)21(27)11-16)20(14-29)26(31-15)32-9-7-19(30)8-10-32/h3-6,11-12,19,33H,7-10,30H2,1-2H3
InChIKeyAWRYHRREIWNGQA-UHFFFAOYSA-N
XLogP4.25
TPSA119.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)pyridine-4-carbonitrile
CID 171744070
2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride
CID 165141523
2-(4-amino-3-fluoropiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile
CID 171743667
6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile
CID 169103076
[1-[5-(4-cyano-3-fluorophenyl)-4-(3-hydroxy-4-methoxyphenyl)-1-methylpyrazolo[3,4-c]pyridin-7-yl]piperidin-4-yl] carbamate
CID 175487723
4-[2-(4-aminopiperidin-1-yl)-3-isocyano-5-(4-methoxyphenyl)-4-pyridinyl]-2-fluorobenzonitrile
CID 171743602
2-[3-[[1-[3-cyano-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-2-pyridinyl]piperidin-4-yl]amino]propyl]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 177282603
3-[4-[[[1-[3-cyano-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-2-pyridinyl]piperidin-4-yl]amino]methyl]-2-fluorophenyl]-N-hydroxypropanamide
CID 177282583
4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride
CID 170357570
[1-[4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxopyrimidin-2-yl]piperidin-4-yl]carbamic acid
CID 135369462
4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-3-oxido-4H-pyrimidin-3-ium-6-yl]-2-fluorobenzonitrile
CID 146472672
(E)-3-[5-[[[1-[3-cyano-4-(4-cyano-3-fluorophenyl)-5-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrimidin-2-yl]-N-hydroxyprop-2-enamide
CID 177282493

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile (CID 171743976) is 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile is COc1ccc(-c2c(C)nc(N3CCC(N)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1O.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is AWRYHRREIWNGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-15-24(17-5-6-23(34-2)22(33)12-17)25(16-3-4-18(13-28)21(27)11-16)20(14-29)26(31-15)32-9-7-19(30)8-10-32/h3-6,11-12,19,33H,7-10,30H2,1-2H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile?
2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 457.51 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 171743976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).