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

C19H22N4O2 — CID 135513122

IUPAC2-amino-6-(2-ethoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESCCOc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1
InChIInChI=1S/C19H22N4O2/c1-2-25-17-5-3-4-16(24)18(17)15-10-13(12-6-8-22-9-7-12)14(11-20)19(21)23-15/h3-5,10,12,22,24H,2,6-9H2,1H3,(H2,21,23)
InChIKeyMVGQQBPAEOYRLV-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.77
Rot. Bonds4

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

2-amino-6-(2-ethoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile (PubChem CID 135513122) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-amino-6-(2-ethoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-ethoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
PubChem CID135513122
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-amino-6-(2-ethoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESCCOc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1
InChIInChI=1S/C19H22N4O2/c1-2-25-17-5-3-4-16(24)18(17)15-10-13(12-6-8-22-9-7-12)14(11-20)19(21)23-15/h3-5,10,12,22,24H,2,6-9H2,1H3,(H2,21,23)
InChIKeyMVGQQBPAEOYRLV-UHFFFAOYSA-N
XLogP2.77
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-hexoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
CID 135527124
2-Amino-6-(2,6-dihydroxyphenyl)-4-(3-piperidinyl)-3-pyridinecarbonitrile
CID 135584961

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-ethoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-ethoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile (CID 135513122) is 2-amino-6-(2-ethoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-ethoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-ethoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile is CCOc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-6-(2-ethoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The InChIKey is MVGQQBPAEOYRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-25-17-5-3-4-16(24)18(17)15-10-13(12-6-8-22-9-7-12)14(11-20)19(21)23-15/h3-5,10,12,22,24H,2,6-9H2,1H3,(H2,21,23).
What are the key properties of 2-amino-6-(2-ethoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
2-amino-6-(2-ethoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile has a molecular weight of 338.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-ethoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 135513122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).