1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea

C15H17N3O3 — CID 67108655

IUPAC1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea
SMILESCCCCNC(=O)Nc1ccc(-c2cccnc2)oc1=O
InChIInChI=1S/C15H17N3O3/c1-2-3-9-17-15(20)18-12-6-7-13(21-14(12)19)11-5-4-8-16-10-11/h4-8,10H,2-3,9H2,1H3,(H2,17,18,20)
InChIKeyMRYRFRLRDBQTPR-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.62
Rot. Bonds5

About 1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea

1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea (PubChem CID 67108655) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea
PubChem CID67108655
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea
SMILESCCCCNC(=O)Nc1ccc(-c2cccnc2)oc1=O
InChIInChI=1S/C15H17N3O3/c1-2-3-9-17-15(20)18-12-6-7-13(21-14(12)19)11-5-4-8-16-10-11/h4-8,10H,2-3,9H2,1H3,(H2,17,18,20)
InChIKeyMRYRFRLRDBQTPR-UHFFFAOYSA-N
XLogP2.62
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea
CID 67108929
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CID 67109097
1-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201
1-butyl-3-(2-methyl-3-pyridinyl)urea
CID 115667861
bis(1-butyl-3-isoquinolin-8-ylurea);platinum(2+);bis(pyridine);dibromide
CID 139180676
N-butyl-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371856
N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide
CID 123327559
1-propyl-3-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 53190800
N-methyl-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide
CID 67109071
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea?
The IUPAC name of 1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea (CID 67108655) is 1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea.
What is the SMILES notation for 1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea?
The canonical SMILES for 1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea is CCCCNC(=O)Nc1ccc(-c2cccnc2)oc1=O.
What is the InChIKey of 1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea?
The InChIKey is MRYRFRLRDBQTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-3-9-17-15(20)18-12-6-7-13(21-14(12)19)11-5-4-8-16-10-11/h4-8,10H,2-3,9H2,1H3,(H2,17,18,20).
What are the key properties of 1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea?
1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea has a molecular weight of 287.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea is sourced from PubChem (CID 67108655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).