(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide

C18H16N4O — CID 125487493

IUPAC(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide
SMILESCn1cc(-c2ccncc2/C=C/C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C18H16N4O/c1-22-13-15(12-20-22)17-9-10-19-11-14(17)7-8-18(23)21-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,23)/b8-7+
InChIKeyXPZQENMQYKJKIS-BQYQJAHWSA-N
MW304.35 g/mol
LogP3.13
Rot. Bonds4

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

(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide (PubChem CID 125487493) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is (E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide
PubChem CID125487493
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide
SMILESCn1cc(-c2ccncc2/C=C/C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C18H16N4O/c1-22-13-15(12-20-22)17-9-10-19-11-14(17)7-8-18(23)21-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,23)/b8-7+
InChIKeyXPZQENMQYKJKIS-BQYQJAHWSA-N
XLogP3.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.13
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)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide (CID 125487493) is (E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide is Cn1cc(-c2ccncc2/C=C/C(=O)Nc2ccccc2)cn1.
What is the InChIKey of (E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide?
The InChIKey is XPZQENMQYKJKIS-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H16N4O/c1-22-13-15(12-20-22)17-9-10-19-11-14(17)7-8-18(23)21-16-5-3-2-4-6-16/h2-13H,1H3,(H,21,23)/b8-7+.
What are the key properties of (E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide?
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide has a molecular weight of 304.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide is sourced from PubChem (CID 125487493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).