1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea

C14H18N6O2 — CID 155951756

IUPAC1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea
SMILESCc1noc(-c2ccc(NC(=O)NCC(N)C3CC3)cn2)n1
InChIInChI=1S/C14H18N6O2/c1-8-18-13(22-20-8)12-5-4-10(6-16-12)19-14(21)17-7-11(15)9-2-3-9/h4-6,9,11H,2-3,7,15H2,1H3,(H2,17,19,21)
InChIKeyRYGYKFVVFMZLNL-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.30
Rot. Bonds5

About 1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea

1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea (PubChem CID 155951756) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea
PubChem CID155951756
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea
SMILESCc1noc(-c2ccc(NC(=O)NCC(N)C3CC3)cn2)n1
InChIInChI=1S/C14H18N6O2/c1-8-18-13(22-20-8)12-5-4-10(6-16-12)19-14(21)17-7-11(15)9-2-3-9/h4-6,9,11H,2-3,7,15H2,1H3,(H2,17,19,21)
InChIKeyRYGYKFVVFMZLNL-UHFFFAOYSA-N
XLogP1.30
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea?
The IUPAC name of 1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea (CID 155951756) is 1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea is Cc1noc(-c2ccc(NC(=O)NCC(N)C3CC3)cn2)n1.
What is the InChIKey of 1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea?
The InChIKey is RYGYKFVVFMZLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-8-18-13(22-20-8)12-5-4-10(6-16-12)19-14(21)17-7-11(15)9-2-3-9/h4-6,9,11H,2-3,7,15H2,1H3,(H2,17,19,21).
What are the key properties of 1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea?
1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea has a molecular weight of 302.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-cyclopropylethyl)-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]urea is sourced from PubChem (CID 155951756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).