2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine

C17H14N4 — CID 24755732

IUPAC2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine
SMILESc1ccc([C@H]2[C@H](c3ccncc3)N2c2cccnc2)nc1
InChIInChI=1S/C17H14N4/c1-2-9-20-15(5-1)17-16(13-6-10-18-11-7-13)21(17)14-4-3-8-19-12-14/h1-12,16-17H/t16-,17-,21?/m0/s1
InChIKeyYXFWQBKHHUQFDC-MVWJYJSVSA-N
MW274.33 g/mol
LogP3.17
Rot. Bonds3

About 2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine

2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine (PubChem CID 24755732) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine
PubChem CID24755732
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine
SMILESc1ccc([C@H]2[C@H](c3ccncc3)N2c2cccnc2)nc1
InChIInChI=1S/C17H14N4/c1-2-9-20-15(5-1)17-16(13-6-10-18-11-7-13)21(17)14-4-3-8-19-12-14/h1-12,16-17H/t16-,17-,21?/m0/s1
InChIKeyYXFWQBKHHUQFDC-MVWJYJSVSA-N
XLogP3.17
TPSA41.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-pyridin-2-yl-4-pyridin-3-ylmorpholine
CID 125015690
1,3-dipyridin-2-yl-5-pyridin-3-yl-1,3,5-triazinane
CID 22639462
(4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione
CID 100522604
(5S,6S)-6-pyridin-2-yl-5-pyridin-4-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 99897467
4-methyl-2-[(2S,3R)-1-pyridin-2-yl-3-pyridin-4-ylaziridin-2-yl]-1,3-thiazole
CID 101455716
3-phenyl-2-pyridin-3-yloxaziridine
CID 19026281
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
4-pyridin-2-yl-2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole
CID 58336755
3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine
CID 161106895
5-pyridin-3-ylpyrido[3,2-b]indole
CID 59459758
1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione
CID 133156281
3-(2-pyridin-4-ylpyrrol-1-yl)pyridine
CID 100914609

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine?
The IUPAC name of 2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine (CID 24755732) is 2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine.
What is the SMILES notation for 2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine?
The canonical SMILES for 2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine is c1ccc([C@H]2[C@H](c3ccncc3)N2c2cccnc2)nc1.
What is the InChIKey of 2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine?
The InChIKey is YXFWQBKHHUQFDC-MVWJYJSVSA-N. The full InChI is InChI=1S/C17H14N4/c1-2-9-20-15(5-1)17-16(13-6-10-18-11-7-13)21(17)14-4-3-8-19-12-14/h1-12,16-17H/t16-,17-,21?/m0/s1.
What are the key properties of 2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine?
2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine has a molecular weight of 274.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-1-pyridin-3-yl-3-pyridin-4-ylaziridin-2-yl]pyridine is sourced from PubChem (CID 24755732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).