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

C13H16N4 — CID 114715991

IUPAC4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cncn2CC2CCC2)ccn1
InChIInChI=1S/C13H16N4/c14-13-6-11(4-5-16-13)12-7-15-9-17(12)8-10-2-1-3-10/h4-7,9-10H,1-3,8H2,(H2,14,16)
InChIKeyXJDPBOBIMGBRNU-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.33
Rot. Bonds3

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

4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114715991) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114715991
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cncn2CC2CCC2)ccn1
InChIInChI=1S/C13H16N4/c14-13-6-11(4-5-16-13)12-7-15-9-17(12)8-10-2-1-3-10/h4-7,9-10H,1-3,8H2,(H2,14,16)
InChIKeyXJDPBOBIMGBRNU-UHFFFAOYSA-N
XLogP2.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine (CID 114715991) is 4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine is Nc1cc(-c2cncn2CC2CCC2)ccn1.
What is the InChIKey of 4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is XJDPBOBIMGBRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-13-6-11(4-5-16-13)12-7-15-9-17(12)8-10-2-1-3-10/h4-7,9-10H,1-3,8H2,(H2,14,16).
What are the key properties of 4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine?
4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 228.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114715991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).