(E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide

C19H16N4O — CID 75363884

IUPAC(E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnccn1)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C19H16N4O/c24-18(7-6-17-14-21-12-13-22-17)23-19(15-4-2-1-3-5-15)16-8-10-20-11-9-16/h1-14,19H,(H,23,24)/b7-6+
InChIKeyFYZXLOSQAQBIRM-VOTSOKGWSA-N
MW316.36 g/mol
LogP2.79
Rot. Bonds5

About (E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide

(E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide (PubChem CID 75363884) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is (E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide
PubChem CID75363884
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name(E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnccn1)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C19H16N4O/c24-18(7-6-17-14-21-12-13-22-17)23-19(15-4-2-1-3-5-15)16-8-10-20-11-9-16/h1-14,19H,(H,23,24)/b7-6+
InChIKeyFYZXLOSQAQBIRM-VOTSOKGWSA-N
XLogP2.79
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
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)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide (CID 75363884) is (E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide is O=C(/C=C/c1cnccn1)NC(c1ccccc1)c1ccncc1.
What is the InChIKey of (E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide?
The InChIKey is FYZXLOSQAQBIRM-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H16N4O/c24-18(7-6-17-14-21-12-13-22-17)23-19(15-4-2-1-3-5-15)16-8-10-20-11-9-16/h1-14,19H,(H,23,24)/b7-6+.
What are the key properties of (E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide?
(E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide has a molecular weight of 316.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide is sourced from PubChem (CID 75363884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).