(E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide

C17H18N2O2 — CID 134111994

IUPAC(E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide
SMILESCc1ccc(Oc2ccc(/C=C/C(=O)N(C)C)cc2)nc1
InChIInChI=1S/C17H18N2O2/c1-13-4-10-16(18-12-13)21-15-8-5-14(6-9-15)7-11-17(20)19(2)3/h4-12H,1-3H3/b11-7+
InChIKeyRZUBXQBBFOJJFR-YRNVUSSQSA-N
MW282.34 g/mol
LogP3.28
Rot. Bonds4

About (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide

(E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide (PubChem CID 134111994) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide
PubChem CID134111994
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide
SMILESCc1ccc(Oc2ccc(/C=C/C(=O)N(C)C)cc2)nc1
InChIInChI=1S/C17H18N2O2/c1-13-4-10-16(18-12-13)21-15-8-5-14(6-9-15)7-11-17(20)19(2)3/h4-12H,1-3H3/b11-7+
InChIKeyRZUBXQBBFOJJFR-YRNVUSSQSA-N
XLogP3.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
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)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide (CID 134111994) is (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide is Cc1ccc(Oc2ccc(/C=C/C(=O)N(C)C)cc2)nc1.
What is the InChIKey of (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide?
The InChIKey is RZUBXQBBFOJJFR-YRNVUSSQSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-4-10-16(18-12-13)21-15-8-5-14(6-9-15)7-11-17(20)19(2)3/h4-12H,1-3H3/b11-7+.
What are the key properties of (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide?
(E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide has a molecular weight of 282.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide is sourced from PubChem (CID 134111994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).