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

C21H26N4O2 — CID 135584964

IUPAC2-amino-6-(2-butoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESCCCCOc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1
InChIInChI=1S/C21H26N4O2/c1-2-3-11-27-19-6-4-5-18(26)20(19)17-12-15(14-7-9-24-10-8-14)16(13-22)21(23)25-17/h4-6,12,14,24,26H,2-3,7-11H2,1H3,(H2,23,25)
InChIKeyKUSNFPNHSNUZPP-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.55
Rot. Bonds6

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

2-amino-6-(2-butoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile (PubChem CID 135584964) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-amino-6-(2-butoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-butoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
PubChem CID135584964
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-amino-6-(2-butoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESCCCCOc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1
InChIInChI=1S/C21H26N4O2/c1-2-3-11-27-19-6-4-5-18(26)20(19)17-12-15(14-7-9-24-10-8-14)16(13-22)21(23)25-17/h4-6,12,14,24,26H,2-3,7-11H2,1H3,(H2,23,25)
InChIKeyKUSNFPNHSNUZPP-UHFFFAOYSA-N
XLogP3.55
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Amino-6-(2-(cyclopropylmethoxy)-6-hydroxyphenyl)-4-piperidin-4-yl nicotinonitrile
CID 135465539
4-Methyl-6-{[3-(Piperidin-4-Ylmethoxy)phenoxy]methyl}pyridin-2-Amine
CID 71627412
2-Amino-6-(2-hydroxyphenyl)-4-(piperidin-3-yl)nicotinonitrile
CID 135432858
2-Amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 135443473
2-Amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile
CID 135443474
Bay65-1942 free base
CID 135454904
2-Amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile
CID 135458385
2-Amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
CID 135469484
2-Amino-6-(2-hydroxy-6-propoxyphenyl)-4-(3-piperidinyl)-3-pyridinecarbonitrile
CID 135482239
2-Amino-6-(2-hydroxy-6-propoxyphenyl)-4-(4-piperidinyl)-3-pyridinecarbonitrile
CID 135484475
2-Amino-6-(2-ethoxy-6-hydroxyphenyl)-4-(4-piperidinyl)-3-pyridinecarbonitrile
CID 135513122
2-Amino-6-(2-hexoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
CID 135527124

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-butoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-butoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile (CID 135584964) is 2-amino-6-(2-butoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-butoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-butoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile is CCCCOc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-6-(2-butoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The InChIKey is KUSNFPNHSNUZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-2-3-11-27-19-6-4-5-18(26)20(19)17-12-15(14-7-9-24-10-8-14)16(13-22)21(23)25-17/h4-6,12,14,24,26H,2-3,7-11H2,1H3,(H2,23,25).
What are the key properties of 2-amino-6-(2-butoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
2-amino-6-(2-butoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile has a molecular weight of 366.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-butoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 135584964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).