(2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea

C13H19N3O2 — CID 167337076

IUPAC(2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea
SMILESCOc1nc2c(c(NC(N)=O)c1C(C)C)CCC2
InChIInChI=1S/C13H19N3O2/c1-7(2)10-11(16-13(14)17)8-5-4-6-9(8)15-12(10)18-3/h7H,4-6H2,1-3H3,(H3,14,15,16,17)
InChIKeyCXJDLPSHJXKLCK-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.19
Rot. Bonds3

About (2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea

(2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea (PubChem CID 167337076) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea.

Molecular Properties

Compound Name(2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea
PubChem CID167337076
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea
SMILESCOc1nc2c(c(NC(N)=O)c1C(C)C)CCC2
InChIInChI=1S/C13H19N3O2/c1-7(2)10-11(16-13(14)17)8-5-4-6-9(8)15-12(10)18-3/h7H,4-6H2,1-3H3,(H3,14,15,16,17)
InChIKeyCXJDLPSHJXKLCK-UHFFFAOYSA-N
XLogP2.19
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea?
The IUPAC name of (2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea (CID 167337076) is (2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea.
What is the SMILES notation for (2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea?
The canonical SMILES for (2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea is COc1nc2c(c(NC(N)=O)c1C(C)C)CCC2.
What is the InChIKey of (2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea?
The InChIKey is CXJDLPSHJXKLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-7(2)10-11(16-13(14)17)8-5-4-6-9(8)15-12(10)18-3/h7H,4-6H2,1-3H3,(H3,14,15,16,17).
What are the key properties of (2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea?
(2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea has a molecular weight of 249.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)urea is sourced from PubChem (CID 167337076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).