1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea

C15H24N4O2 — CID 53499278

IUPAC1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea
SMILESCCN(CC)c1ccc(NC(=O)NCC2CCOC2)cn1
InChIInChI=1S/C15H24N4O2/c1-3-19(4-2)14-6-5-13(10-16-14)18-15(20)17-9-12-7-8-21-11-12/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H2,17,18,20)
InChIKeyACSKQGSWMFJQKF-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.09
Rot. Bonds6

About 1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea

1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea (PubChem CID 53499278) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea
PubChem CID53499278
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea
SMILESCCN(CC)c1ccc(NC(=O)NCC2CCOC2)cn1
InChIInChI=1S/C15H24N4O2/c1-3-19(4-2)14-6-5-13(10-16-14)18-15(20)17-9-12-7-8-21-11-12/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H2,17,18,20)
InChIKeyACSKQGSWMFJQKF-UHFFFAOYSA-N
XLogP2.09
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea (CID 53499278) is 1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea is CCN(CC)c1ccc(NC(=O)NCC2CCOC2)cn1.
What is the InChIKey of 1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea?
The InChIKey is ACSKQGSWMFJQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-19(4-2)14-6-5-13(10-16-14)18-15(20)17-9-12-7-8-21-11-12/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea?
1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea has a molecular weight of 292.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(diethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 53499278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).