3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile

C16H17N3O2 — CID 103566567

IUPAC3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OC(c2ccccn2)C(C)N)c1
InChIInChI=1S/C16H17N3O2/c1-11(18)16(15-5-3-4-6-19-15)21-14-8-12(10-17)7-13(9-14)20-2/h3-9,11,16H,18H2,1-2H3
InChIKeyHXGSMMPGOITYMH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.43
Rot. Bonds5

About 3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile

3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile (PubChem CID 103566567) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile
PubChem CID103566567
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(OC(c2ccccn2)C(C)N)c1
InChIInChI=1S/C16H17N3O2/c1-11(18)16(15-5-3-4-6-19-15)21-14-8-12(10-17)7-13(9-14)20-2/h3-9,11,16H,18H2,1-2H3
InChIKeyHXGSMMPGOITYMH-UHFFFAOYSA-N
XLogP2.43
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile
CID 103566523
1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 107722871
1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine
CID 81332247
1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 55246155
4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile
CID 117053031
1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 55163071
3-(2-amino-1-thiophen-2-ylbutoxy)-5-methoxybenzonitrile
CID 103566510
1-(2-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 63648828
[(3,5-dimethoxyphenyl)-pyridin-2-ylmethyl]hydrazine
CID 105195951
3-(2-amino-2-phenylethoxy)-5-methoxybenzonitrile
CID 103567459
1-(2-fluoro-5-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 64856151
4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile
CID 107670268

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile?
The IUPAC name of 3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile (CID 103566567) is 3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile.
What is the SMILES notation for 3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile?
The canonical SMILES for 3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile is COc1cc(C#N)cc(OC(c2ccccn2)C(C)N)c1.
What is the InChIKey of 3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile?
The InChIKey is HXGSMMPGOITYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(18)16(15-5-3-4-6-19-15)21-14-8-12(10-17)7-13(9-14)20-2/h3-9,11,16H,18H2,1-2H3.
What are the key properties of 3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile?
3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile is sourced from PubChem (CID 103566567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).