(E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide

C20H20N4O2 — CID 126568748

IUPAC(E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
SMILESCOCc1ccc(NC(=O)/C=C/c2cnccc2-c2cnn(C)c2)cc1
InChIInChI=1S/C20H20N4O2/c1-24-13-17(12-22-24)19-9-10-21-11-16(19)5-8-20(25)23-18-6-3-15(4-7-18)14-26-2/h3-13H,14H2,1-2H3,(H,23,25)/b8-5+
InChIKeyXDWQZZKRXMUUSO-VMPITWQZSA-N
MW348.41 g/mol
LogP3.28
Rot. Bonds6

About (E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide

(E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide (PubChem CID 126568748) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
PubChem CID126568748
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
SMILESCOCc1ccc(NC(=O)/C=C/c2cnccc2-c2cnn(C)c2)cc1
InChIInChI=1S/C20H20N4O2/c1-24-13-17(12-22-24)19-9-10-21-11-16(19)5-8-20(25)23-18-6-3-15(4-7-18)14-26-2/h3-13H,14H2,1-2H3,(H,23,25)/b8-5+
InChIKeyXDWQZZKRXMUUSO-VMPITWQZSA-N
XLogP3.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide (CID 126568748) is (E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide is COCc1ccc(NC(=O)/C=C/c2cnccc2-c2cnn(C)c2)cc1.
What is the InChIKey of (E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
The InChIKey is XDWQZZKRXMUUSO-VMPITWQZSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24-13-17(12-22-24)19-9-10-21-11-16(19)5-8-20(25)23-18-6-3-15(4-7-18)14-26-2/h3-13H,14H2,1-2H3,(H,23,25)/b8-5+.
What are the key properties of (E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
(E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide has a molecular weight of 348.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(methoxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 126568748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).