(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide

C19H18ClN3O2 — CID 135372919

IUPAC(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc(-c2cc(Cl)c3cnccc3n2)o1
InChIInChI=1S/C19H18ClN3O2/c1-3-23(4-2)19(24)8-6-13-5-7-18(25-13)17-11-15(20)14-12-21-10-9-16(14)22-17/h5-12H,3-4H2,1-2H3/b8-6+
InChIKeyUQELDEJABXYNJJ-SOFGYWHQSA-N
MW355.83 g/mol
LogP4.42
Rot. Bonds5

About (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide

(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide (PubChem CID 135372919) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide
PubChem CID135372919
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc(-c2cc(Cl)c3cnccc3n2)o1
InChIInChI=1S/C19H18ClN3O2/c1-3-23(4-2)19(24)8-6-13-5-7-18(25-13)17-11-15(20)14-12-21-10-9-16(14)22-17/h5-12H,3-4H2,1-2H3/b8-6+
InChIKeyUQELDEJABXYNJJ-SOFGYWHQSA-N
XLogP4.42
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide?
The IUPAC name of (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide (CID 135372919) is (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide.
What is the SMILES notation for (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide?
The canonical SMILES for (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide is CCN(CC)C(=O)/C=C/c1ccc(-c2cc(Cl)c3cnccc3n2)o1.
What is the InChIKey of (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide?
The InChIKey is UQELDEJABXYNJJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-3-23(4-2)19(24)8-6-13-5-7-18(25-13)17-11-15(20)14-12-21-10-9-16(14)22-17/h5-12H,3-4H2,1-2H3/b8-6+.
What are the key properties of (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide?
(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide has a molecular weight of 355.83 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N,N-diethylprop-2-enamide is sourced from PubChem (CID 135372919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).