3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine

C12H13ClN4O — CID 138014323

IUPAC3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine
SMILESCCNc1ncc(-c2nc(C3CC3)no2)cc1Cl
InChIInChI=1S/C12H13ClN4O/c1-2-14-11-9(13)5-8(6-15-11)12-16-10(17-18-12)7-3-4-7/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyBQSMZKXAHDTFAY-UHFFFAOYSA-N
MW264.72 g/mol
LogP3.09
Rot. Bonds4

About 3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine

3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine (PubChem CID 138014323) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine
PubChem CID138014323
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine
SMILESCCNc1ncc(-c2nc(C3CC3)no2)cc1Cl
InChIInChI=1S/C12H13ClN4O/c1-2-14-11-9(13)5-8(6-15-11)12-16-10(17-18-12)7-3-4-7/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyBQSMZKXAHDTFAY-UHFFFAOYSA-N
XLogP3.09
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine (CID 138014323) is 3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine is CCNc1ncc(-c2nc(C3CC3)no2)cc1Cl.
What is the InChIKey of 3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine?
The InChIKey is BQSMZKXAHDTFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-2-14-11-9(13)5-8(6-15-11)12-16-10(17-18-12)7-3-4-7/h5-7H,2-4H2,1H3,(H,14,15).
What are the key properties of 3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine?
3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine has a molecular weight of 264.72 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 138014323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).