(E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide

C14H14N2O2 — CID 127033984

IUPAC(E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide
SMILESC/C(=C\c1cc(-c2ccc(C)nc2)co1)C(N)=O
InChIInChI=1S/C14H14N2O2/c1-9(14(15)17)5-13-6-12(8-18-13)11-4-3-10(2)16-7-11/h3-8H,1-2H3,(H2,15,17)/b9-5+
InChIKeyHQHXCIHRTOPGNV-WEVVVXLNSA-N
MW242.28 g/mol
LogP2.54
Rot. Bonds3

About (E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide

(E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide (PubChem CID 127033984) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide
PubChem CID127033984
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide
SMILESC/C(=C\c1cc(-c2ccc(C)nc2)co1)C(N)=O
InChIInChI=1S/C14H14N2O2/c1-9(14(15)17)5-13-6-12(8-18-13)11-4-3-10(2)16-7-11/h3-8H,1-2H3,(H2,15,17)/b9-5+
InChIKeyHQHXCIHRTOPGNV-WEVVVXLNSA-N
XLogP2.54
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide (CID 127033984) is (E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide is C/C(=C\c1cc(-c2ccc(C)nc2)co1)C(N)=O.
What is the InChIKey of (E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide?
The InChIKey is HQHXCIHRTOPGNV-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9(14(15)17)5-13-6-12(8-18-13)11-4-3-10(2)16-7-11/h3-8H,1-2H3,(H2,15,17)/b9-5+.
What are the key properties of (E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide?
(E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-[4-(6-methyl-3-pyridinyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 127033984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).