N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine

C11H14N4O — CID 106504285

IUPACN-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine
SMILESCOc1ccc(NC(C)c2ncc[nH]2)nc1
InChIInChI=1S/C11H14N4O/c1-8(11-12-5-6-13-11)15-10-4-3-9(16-2)7-14-10/h3-8H,1-2H3,(H,12,13)(H,14,15)
InChIKeyGWCBZYSFOTZDLJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.99
Rot. Bonds4

About N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine

N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine (PubChem CID 106504285) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine
PubChem CID106504285
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine
SMILESCOc1ccc(NC(C)c2ncc[nH]2)nc1
InChIInChI=1S/C11H14N4O/c1-8(11-12-5-6-13-11)15-10-4-3-9(16-2)7-14-10/h3-8H,1-2H3,(H,12,13)(H,14,15)
InChIKeyGWCBZYSFOTZDLJ-UHFFFAOYSA-N
XLogP1.99
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine?
The IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine (CID 106504285) is N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine is COc1ccc(NC(C)c2ncc[nH]2)nc1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine?
The InChIKey is GWCBZYSFOTZDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(11-12-5-6-13-11)15-10-4-3-9(16-2)7-14-10/h3-8H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine?
N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine has a molecular weight of 218.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine is sourced from PubChem (CID 106504285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).