1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea

C14H13N3O3 — CID 67108929

IUPAC1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(-c2cccnc2)oc1=O
InChIInChI=1S/C14H13N3O3/c1-2-7-16-14(19)17-11-5-6-12(20-13(11)18)10-4-3-8-15-9-10/h2-6,8-9H,1,7H2,(H2,16,17,19)
InChIKeyUXQWPQHHYCSSOM-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.01
Rot. Bonds4

About 1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea

1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea (PubChem CID 67108929) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea
PubChem CID67108929
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(-c2cccnc2)oc1=O
InChIInChI=1S/C14H13N3O3/c1-2-7-16-14(19)17-11-5-6-12(20-13(11)18)10-4-3-8-15-9-10/h2-6,8-9H,1,7H2,(H2,16,17,19)
InChIKeyUXQWPQHHYCSSOM-UHFFFAOYSA-N
XLogP2.01
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea
CID 67109097
1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea
CID 67108655
N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47052934
1-prop-2-enyl-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562689
1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
CID 90359810
1-prop-2-enyl-3-(pyridine-3-carbonylamino)urea
CID 23300028
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
N-methyl-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide
CID 67109071
1-(2-chlorophenyl)-3-prop-2-enylurea
CID 4277664
(2R)-N-prop-2-enyl-2-(5-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 124888922
N-prop-2-enyl-5-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 13478593
N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide
CID 123327559

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea?
The IUPAC name of 1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea (CID 67108929) is 1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea?
The canonical SMILES for 1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea is C=CCNC(=O)Nc1ccc(-c2cccnc2)oc1=O.
What is the InChIKey of 1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea?
The InChIKey is UXQWPQHHYCSSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-2-7-16-14(19)17-11-5-6-12(20-13(11)18)10-4-3-8-15-9-10/h2-6,8-9H,1,7H2,(H2,16,17,19).
What are the key properties of 1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea?
1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea has a molecular weight of 271.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea is sourced from PubChem (CID 67108929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).