3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine

C15H15N5 — CID 114717857

IUPAC3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(c1cccnc1)n1cncc1-c1cccnc1N
InChIInChI=1S/C15H15N5/c1-11(12-4-2-6-17-8-12)20-10-18-9-14(20)13-5-3-7-19-15(13)16/h2-11H,1H3,(H2,16,19)
InChIKeyJHOYFALQNLEKNX-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.53
Rot. Bonds3

About 3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine

3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114717857) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114717857
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(c1cccnc1)n1cncc1-c1cccnc1N
InChIInChI=1S/C15H15N5/c1-11(12-4-2-6-17-8-12)20-10-18-9-14(20)13-5-3-7-19-15(13)16/h2-11H,1H3,(H2,16,19)
InChIKeyJHOYFALQNLEKNX-UHFFFAOYSA-N
XLogP2.53
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine (CID 114717857) is 3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine is CC(c1cccnc1)n1cncc1-c1cccnc1N.
What is the InChIKey of 3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is JHOYFALQNLEKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-11(12-4-2-6-17-8-12)20-10-18-9-14(20)13-5-3-7-19-15(13)16/h2-11H,1H3,(H2,16,19).
What are the key properties of 3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine?
3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114717857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).