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

C13H14N6 — CID 114719696

IUPAC3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1CCn1ccnc1
InChIInChI=1S/C13H14N6/c14-12-1-2-15-7-11(12)13-8-17-10-19(13)6-5-18-4-3-16-9-18/h1-4,7-10H,5-6H2,(H2,14,15)
InChIKeyQKOKNQHHKAKNFJ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.42
Rot. Bonds4

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

3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine (PubChem CID 114719696) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine
PubChem CID114719696
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1CCn1ccnc1
InChIInChI=1S/C13H14N6/c14-12-1-2-15-7-11(12)13-8-17-10-19(13)6-5-18-4-3-16-9-18/h1-4,7-10H,5-6H2,(H2,14,15)
InChIKeyQKOKNQHHKAKNFJ-UHFFFAOYSA-N
XLogP1.42
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine
CID 106327236
3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine
CID 114722467
3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine
CID 114718909
3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine
CID 114717599
3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine
CID 106041102
3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114716960
3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine
CID 114722634
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718031
3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114716564
3-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-4-amine
CID 114721375
3-[3-[(3-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114721352
3-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114717841

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine (CID 114719696) is 3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine is Nc1ccncc1-c1cncn1CCn1ccnc1.
What is the InChIKey of 3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine?
The InChIKey is QKOKNQHHKAKNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-12-1-2-15-7-11(12)13-8-17-10-19(13)6-5-18-4-3-16-9-18/h1-4,7-10H,5-6H2,(H2,14,15).
What are the key properties of 3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine?
3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine has a molecular weight of 254.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114719696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).