1-propyl-3-(1-pyridin-2-ylethyl)urea

C11H17N3O — CID 17182591

IUPAC1-propyl-3-(1-pyridin-2-ylethyl)urea
SMILESCCCNC(=O)NC(C)c1ccccn1
InChIInChI=1S/C11H17N3O/c1-3-7-13-11(15)14-9(2)10-6-4-5-8-12-10/h4-6,8-9H,3,7H2,1-2H3,(H2,13,14,15)
InChIKeyKFXRKVGVEXAOCA-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.85
Rot. Bonds4

About 1-propyl-3-(1-pyridin-2-ylethyl)urea

1-propyl-3-(1-pyridin-2-ylethyl)urea (PubChem CID 17182591) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-propyl-3-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-propyl-3-(1-pyridin-2-ylethyl)urea
PubChem CID17182591
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-propyl-3-(1-pyridin-2-ylethyl)urea
SMILESCCCNC(=O)NC(C)c1ccccn1
InChIInChI=1S/C11H17N3O/c1-3-7-13-11(15)14-9(2)10-6-4-5-8-12-10/h4-6,8-9H,3,7H2,1-2H3,(H2,13,14,15)
InChIKeyKFXRKVGVEXAOCA-UHFFFAOYSA-N
XLogP1.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-propyl-3-(1-pyridin-2-ylethyl)urea (CID 17182591) is 1-propyl-3-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-propyl-3-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-propyl-3-(1-pyridin-2-ylethyl)urea is CCCNC(=O)NC(C)c1ccccn1.
What is the InChIKey of 1-propyl-3-(1-pyridin-2-ylethyl)urea?
The InChIKey is KFXRKVGVEXAOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-7-13-11(15)14-9(2)10-6-4-5-8-12-10/h4-6,8-9H,3,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-propyl-3-(1-pyridin-2-ylethyl)urea?
1-propyl-3-(1-pyridin-2-ylethyl)urea has a molecular weight of 207.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 17182591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).