1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea

C15H15N3O4 — CID 167835718

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea
SMILESO=C(NCc1cc(=O)c(O)co1)Nc1ccc2c(n1)CCC2
InChIInChI=1S/C15H15N3O4/c19-12-6-10(22-8-13(12)20)7-16-15(21)18-14-5-4-9-2-1-3-11(9)17-14/h4-6,8,20H,1-3,7H2,(H2,16,17,18,21)
InChIKeyZQZOENGNVLEWLX-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.55
Rot. Bonds3

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea (PubChem CID 167835718) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea
PubChem CID167835718
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea
SMILESO=C(NCc1cc(=O)c(O)co1)Nc1ccc2c(n1)CCC2
InChIInChI=1S/C15H15N3O4/c19-12-6-10(22-8-13(12)20)7-16-15(21)18-14-5-4-9-2-1-3-11(9)17-14/h4-6,8,20H,1-3,7H2,(H2,16,17,18,21)
InChIKeyZQZOENGNVLEWLX-UHFFFAOYSA-N
XLogP1.55
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea (CID 167835718) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea is O=C(NCc1cc(=O)c(O)co1)Nc1ccc2c(n1)CCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea?
The InChIKey is ZQZOENGNVLEWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-12-6-10(22-8-13(12)20)7-16-15(21)18-14-5-4-9-2-1-3-11(9)17-14/h4-6,8,20H,1-3,7H2,(H2,16,17,18,21).
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea has a molecular weight of 301.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-[(5-hydroxy-4-oxopyran-2-yl)methyl]urea is sourced from PubChem (CID 167835718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).