6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide

C14H17N3O3 — CID 110331915

IUPAC6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccco2)[nH]c(=O)n1
InChIInChI=1S/C14H17N3O3/c1-2-3-4-7-15-13(18)11-9-10(16-14(19)17-11)12-6-5-8-20-12/h5-6,8-9H,2-4,7H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyJUZAFYPDMXIIRN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.95
Rot. Bonds6

About 6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide

6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide (PubChem CID 110331915) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide
PubChem CID110331915
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccco2)[nH]c(=O)n1
InChIInChI=1S/C14H17N3O3/c1-2-3-4-7-15-13(18)11-9-10(16-14(19)17-11)12-6-5-8-20-12/h5-6,8-9H,2-4,7H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyJUZAFYPDMXIIRN-UHFFFAOYSA-N
XLogP1.95
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.95
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

5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
6-(furan-2-yl)-2-oxo-N-prop-2-enyl-1H-pyrimidine-4-carboxamide
CID 110331841
N-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331871
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
N-(2,4-dimethylphenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331928
N-(3-fluorophenyl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331954
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(furan-2-yl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 110331957
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
5-(furan-2-yl)-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119393280
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide (CID 110331915) is 6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(-c2ccco2)[nH]c(=O)n1.
What is the InChIKey of 6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide?
The InChIKey is JUZAFYPDMXIIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-3-4-7-15-13(18)11-9-10(16-14(19)17-11)12-6-5-8-20-12/h5-6,8-9H,2-4,7H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of 6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide?
6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-oxo-N-pentyl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 110331915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).