2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile

C21H24N4O2 — CID 135458385

IUPAC2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCCNC2)cc(-c2c(O)cccc2OCC2CC2)nc1N
InChIInChI=1S/C21H24N4O2/c22-10-16-15(14-3-2-8-24-11-14)9-17(25-21(16)23)20-18(26)4-1-5-19(20)27-12-13-6-7-13/h1,4-5,9,13-14,24,26H,2-3,6-8,11-12H2,(H2,23,25)
InChIKeyLRAIEGOIIAZHRP-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.16
Rot. Bonds5

About 2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile

2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile (PubChem CID 135458385) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile
PubChem CID135458385
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCCNC2)cc(-c2c(O)cccc2OCC2CC2)nc1N
InChIInChI=1S/C21H24N4O2/c22-10-16-15(14-3-2-8-24-11-14)9-17(25-21(16)23)20-18(26)4-1-5-19(20)27-12-13-6-7-13/h1,4-5,9,13-14,24,26H,2-3,6-8,11-12H2,(H2,23,25)
InChIKeyLRAIEGOIIAZHRP-UHFFFAOYSA-N
XLogP3.16
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile (CID 135458385) is 2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile is N#Cc1c(C2CCCNC2)cc(-c2c(O)cccc2OCC2CC2)nc1N.
What is the InChIKey of 2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile?
The InChIKey is LRAIEGOIIAZHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-10-16-15(14-3-2-8-24-11-14)9-17(25-21(16)23)20-18(26)4-1-5-19(20)27-12-13-6-7-13/h1,4-5,9,13-14,24,26H,2-3,6-8,11-12H2,(H2,23,25).
What are the key properties of 2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile?
2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 135458385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).