3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine

C13H16N6 — CID 79289839

IUPAC3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1CCCCn1ccnc1
InChIInChI=1S/C13H16N6/c14-13-17-11-4-3-5-16-12(11)19(13)8-2-1-7-18-9-6-15-10-18/h3-6,9-10H,1-2,7-8H2,(H2,14,17)
InChIKeyKVIQFLHPIRLREA-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.69
Rot. Bonds5

About 3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine

3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79289839) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79289839
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1CCCCn1ccnc1
InChIInChI=1S/C13H16N6/c14-13-17-11-4-3-5-16-12(11)19(13)8-2-1-7-18-9-6-15-10-18/h3-6,9-10H,1-2,7-8H2,(H2,14,17)
InChIKeyKVIQFLHPIRLREA-UHFFFAOYSA-N
XLogP1.69
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-chloroethyl)-3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridine
CID 79274516
3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289514
1-(3-imidazol-1-ylpropyl)imidazo[4,5-c]pyridin-2-amine
CID 79295607
3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 79289500
3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289761
3-benzylimidazo[4,5-b]pyridin-2-amine
CID 79289249
chloroosmium;3-imidazol-1-ylpropan-1-amine;bis(2-pyridin-2-ylpyridine)
CID 11585550
N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide
CID 113481413
1-propylimidazole;quinoline
CID 174946070
3-(4-imidazol-1-ylbutyl)-7-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79287920
3-(1,3-thiazol-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79290074
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442

Frequently Asked Questions

What is the IUPAC name of 3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine (CID 79289839) is 3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine is Nc1nc2cccnc2n1CCCCn1ccnc1.
What is the InChIKey of 3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is KVIQFLHPIRLREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c14-13-17-11-4-3-5-16-12(11)19(13)8-2-1-7-18-9-6-15-10-18/h3-6,9-10H,1-2,7-8H2,(H2,14,17).
What are the key properties of 3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine?
3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 256.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79289839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).