5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine

C14H13N5 — CID 114716878

IUPAC5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cncn2Cc2ccccn2)cn1
InChIInChI=1S/C14H13N5/c15-14-5-4-11(7-18-14)13-8-16-10-19(13)9-12-3-1-2-6-17-12/h1-8,10H,9H2,(H2,15,18)
InChIKeyQOOPLJVBKFNVEY-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.97
Rot. Bonds3

About 5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine

5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114716878) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114716878
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cncn2Cc2ccccn2)cn1
InChIInChI=1S/C14H13N5/c15-14-5-4-11(7-18-14)13-8-16-10-19(13)9-12-3-1-2-6-17-12/h1-8,10H,9H2,(H2,15,18)
InChIKeyQOOPLJVBKFNVEY-UHFFFAOYSA-N
XLogP1.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine (CID 114716878) is 5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine is Nc1ccc(-c2cncn2Cc2ccccn2)cn1.
What is the InChIKey of 5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is QOOPLJVBKFNVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c15-14-5-4-11(7-18-14)13-8-16-10-19(13)9-12-3-1-2-6-17-12/h1-8,10H,9H2,(H2,15,18).
What are the key properties of 5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine?
5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(pyridin-2-ylmethyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114716878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).