(E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide

C14H15N3O3 — CID 86263711

IUPAC(E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide
SMILESCc1cc(=O)n(CCNC(=O)/C=C/c2ccco2)cn1
InChIInChI=1S/C14H15N3O3/c1-11-9-14(19)17(10-16-11)7-6-15-13(18)5-4-12-3-2-8-20-12/h2-5,8-10H,6-7H2,1H3,(H,15,18)/b5-4+
InChIKeyIRSFPSJXYJEEPT-SNAWJCMRSA-N
MW273.29 g/mol
LogP0.97
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide (PubChem CID 86263711) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide
PubChem CID86263711
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide
SMILESCc1cc(=O)n(CCNC(=O)/C=C/c2ccco2)cn1
InChIInChI=1S/C14H15N3O3/c1-11-9-14(19)17(10-16-11)7-6-15-13(18)5-4-12-3-2-8-20-12/h2-5,8-10H,6-7H2,1H3,(H,15,18)/b5-4+
InChIKeyIRSFPSJXYJEEPT-SNAWJCMRSA-N
XLogP0.97
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]prop-2-enamide
CID 91939214
(E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 121119227
5-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 121119296
(E)-3-(furan-2-yl)-N-[2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)ethyl]prop-2-enamide
CID 119104466
(E)-3-(furan-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]prop-2-enamide
CID 71789674
(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
CID 115979782
(E)-3-(furan-2-yl)-N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]prop-2-enamide
CID 75534038
(E)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 5291630
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 24533349
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide (CID 86263711) is (E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide is Cc1cc(=O)n(CCNC(=O)/C=C/c2ccco2)cn1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide?
The InChIKey is IRSFPSJXYJEEPT-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-11-9-14(19)17(10-16-11)7-6-15-13(18)5-4-12-3-2-8-20-12/h2-5,8-10H,6-7H2,1H3,(H,15,18)/b5-4+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide has a molecular weight of 273.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 86263711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).