2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride

C15H15ClN2O2 — CID 70486559

IUPAC2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride
SMILESCC(=Cc1ccc(Oc2cccnc2)cc1)C(N)=O.Cl
InChIInChI=1S/C15H14N2O2.ClH/c1-11(15(16)18)9-12-4-6-13(7-5-12)19-14-3-2-8-17-10-14;/h2-10H,1H3,(H2,16,18);1H
InChIKeyDQDJXLVIFBRHQN-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.18
Rot. Bonds4

About 2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride

2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride (PubChem CID 70486559) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride
PubChem CID70486559
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride
SMILESCC(=Cc1ccc(Oc2cccnc2)cc1)C(N)=O.Cl
InChIInChI=1S/C15H14N2O2.ClH/c1-11(15(16)18)9-12-4-6-13(7-5-12)19-14-3-2-8-17-10-14;/h2-10H,1H3,(H2,16,18);1H
InChIKeyDQDJXLVIFBRHQN-UHFFFAOYSA-N
XLogP3.18
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.18
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 2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride?
The IUPAC name of 2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride (CID 70486559) is 2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride is CC(=Cc1ccc(Oc2cccnc2)cc1)C(N)=O.Cl.
What is the InChIKey of 2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride?
The InChIKey is DQDJXLVIFBRHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2.ClH/c1-11(15(16)18)9-12-4-6-13(7-5-12)19-14-3-2-8-17-10-14;/h2-10H,1H3,(H2,16,18);1H.
What are the key properties of 2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride?
2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride has a molecular weight of 290.75 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride is sourced from PubChem (CID 70486559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).