1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea

C11H15N3O2 — CID 47222948

IUPAC1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea
SMILESCOc1ncccc1NC(=O)NCC1CC1
InChIInChI=1S/C11H15N3O2/c1-16-10-9(3-2-6-12-10)14-11(15)13-7-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H2,13,14,15)
InChIKeyIMXXJMYJSDVVRS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.62
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea

1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea (PubChem CID 47222948) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea
PubChem CID47222948
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea
SMILESCOc1ncccc1NC(=O)NCC1CC1
InChIInChI=1S/C11H15N3O2/c1-16-10-9(3-2-6-12-10)14-11(15)13-7-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H2,13,14,15)
InChIKeyIMXXJMYJSDVVRS-UHFFFAOYSA-N
XLogP1.62
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea (CID 47222948) is 1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea is COc1ncccc1NC(=O)NCC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea?
The InChIKey is IMXXJMYJSDVVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-10-9(3-2-6-12-10)14-11(15)13-7-8-4-5-8/h2-3,6,8H,4-5,7H2,1H3,(H2,13,14,15).
What are the key properties of 1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea?
1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea has a molecular weight of 221.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 47222948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).