5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine

C11H13FN4 — CID 61313733

IUPAC5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
SMILESFc1ccc(NCCCn2ccnc2)nc1
InChIInChI=1S/C11H13FN4/c12-10-2-3-11(15-8-10)14-4-1-6-16-7-5-13-9-16/h2-3,5,7-9H,1,4,6H2,(H,14,15)
InChIKeyDXRODEKTZCPRIY-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.92
Rot. Bonds5

About 5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine

5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine (PubChem CID 61313733) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
PubChem CID61313733
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
SMILESFc1ccc(NCCCn2ccnc2)nc1
InChIInChI=1S/C11H13FN4/c12-10-2-3-11(15-8-10)14-4-1-6-16-7-5-13-9-16/h2-3,5,7-9H,1,4,6H2,(H,14,15)
InChIKeyDXRODEKTZCPRIY-UHFFFAOYSA-N
XLogP1.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile
CID 28880579
5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 29021727
N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60632035
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine
CID 61313104
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine
CID 86305832
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 83117213
N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine
CID 154338498
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine
CID 80753525

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine (CID 61313733) is 5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine is Fc1ccc(NCCCn2ccnc2)nc1.
What is the InChIKey of 5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine?
The InChIKey is DXRODEKTZCPRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c12-10-2-3-11(15-8-10)14-4-1-6-16-7-5-13-9-16/h2-3,5,7-9H,1,4,6H2,(H,14,15).
What are the key properties of 5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine?
5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine has a molecular weight of 220.25 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 61313733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).