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

C15H15N5 — CID 114717900

IUPAC4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(c1ccccn1)n1cncc1-c1ccnc(N)c1
InChIInChI=1S/C15H15N5/c1-11(13-4-2-3-6-18-13)20-10-17-9-14(20)12-5-7-19-15(16)8-12/h2-11H,1H3,(H2,16,19)
InChIKeyYECQTDQYTWYYCA-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.53
Rot. Bonds3

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

4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114717900) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114717900
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(c1ccccn1)n1cncc1-c1ccnc(N)c1
InChIInChI=1S/C15H15N5/c1-11(13-4-2-3-6-18-13)20-10-17-9-14(20)12-5-7-19-15(16)8-12/h2-11H,1H3,(H2,16,19)
InChIKeyYECQTDQYTWYYCA-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 4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine (CID 114717900) is 4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine is CC(c1ccccn1)n1cncc1-c1ccnc(N)c1.
What is the InChIKey of 4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is YECQTDQYTWYYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-11(13-4-2-3-6-18-13)20-10-17-9-14(20)12-5-7-19-15(16)8-12/h2-11H,1H3,(H2,16,19).
What are the key properties of 4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine?
4-[3-(1-pyridin-2-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 4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114717900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).