3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide

C14H14N2O2 — CID 4606451

IUPAC3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NCc2cccnc2)o1
InChIInChI=1S/C14H14N2O2/c1-11-4-5-13(18-11)6-7-14(17)16-10-12-3-2-8-15-9-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyMWARITHTQLKVCP-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.31
Rot. Bonds4

About 3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide

3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 4606451) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
PubChem CID4606451
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)NCc2cccnc2)o1
InChIInChI=1S/C14H14N2O2/c1-11-4-5-13(18-11)6-7-14(17)16-10-12-3-2-8-15-9-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyMWARITHTQLKVCP-UHFFFAOYSA-N
XLogP2.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(3-cyanophenyl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47162880
N-(furan-2-ylmethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 873864
N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 71321108
(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 13405147
3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 3354969
(E)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 847396
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
(E)-3-(5-methylfuran-2-yl)-N-[3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6074056
(E)-3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 27396984
(E)-3-(5-methylfuran-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 17164912
(E)-N-[2,2-dimethyl-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2165350
benzyl 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]acetate
CID 26878355

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide (CID 4606451) is 3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide is Cc1ccc(C=CC(=O)NCc2cccnc2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is MWARITHTQLKVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-11-4-5-13(18-11)6-7-14(17)16-10-12-3-2-8-15-9-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 4606451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).