2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile

C18H19N3O2 — CID 56755167

IUPAC2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(C3CC3)nc(N)c2C#N)cc1CO
InChIInChI=1S/C18H19N3O2/c1-2-23-17-6-5-12(7-13(17)10-22)14-8-16(11-3-4-11)21-18(20)15(14)9-19/h5-8,11,22H,2-4,10H2,1H3,(H2,20,21)
InChIKeyGLEATQMDNNLLPY-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.97
Rot. Bonds5

About 2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile

2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 56755167) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile
PubChem CID56755167
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(C3CC3)nc(N)c2C#N)cc1CO
InChIInChI=1S/C18H19N3O2/c1-2-23-17-6-5-12(7-13(17)10-22)14-8-16(11-3-4-11)21-18(20)15(14)9-19/h5-8,11,22H,2-4,10H2,1H3,(H2,20,21)
InChIKeyGLEATQMDNNLLPY-UHFFFAOYSA-N
XLogP2.97
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-(2-(cyclopropylmethoxy)-6-hydroxyphenyl)-4-piperidin-4-yl nicotinonitrile
CID 135465539
2-Amino-6-(4-hydroxy-phenyl)-4-(4-methoxy-phenyl)-nicotinonitrile
CID 856248
2-Amino-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile
CID 748928
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
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
2-Amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
CID 135584963

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile (CID 56755167) is 2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile is CCOc1ccc(-c2cc(C3CC3)nc(N)c2C#N)cc1CO.
What is the InChIKey of 2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is GLEATQMDNNLLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-23-17-6-5-12(7-13(17)10-22)14-8-16(11-3-4-11)21-18(20)15(14)9-19/h5-8,11,22H,2-4,10H2,1H3,(H2,20,21).
What are the key properties of 2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile?
2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-cyclopropyl-4-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 56755167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).