(E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide

C17H15N3O — CID 67356625

IUPAC(E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide
SMILESCNC(=O)/C=C(\c1ccccc1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C17H15N3O/c1-18-17(21)10-15(12-5-3-2-4-6-12)13-7-8-14-11-19-20-16(14)9-13/h2-11H,1H3,(H,18,21)(H,19,20)/b15-10+
InChIKeyRXPYJURTGBCYSS-XNTDXEJSSA-N
MW277.33 g/mol
LogP2.74
Rot. Bonds3

About (E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide

(E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide (PubChem CID 67356625) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide
PubChem CID67356625
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide
SMILESCNC(=O)/C=C(\c1ccccc1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C17H15N3O/c1-18-17(21)10-15(12-5-3-2-4-6-12)13-7-8-14-11-19-20-16(14)9-13/h2-11H,1H3,(H,18,21)(H,19,20)/b15-10+
InChIKeyRXPYJURTGBCYSS-XNTDXEJSSA-N
XLogP2.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide (CID 67356625) is (E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide is CNC(=O)/C=C(\c1ccccc1)c1ccc2cn[nH]c2c1.
What is the InChIKey of (E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide?
The InChIKey is RXPYJURTGBCYSS-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H15N3O/c1-18-17(21)10-15(12-5-3-2-4-6-12)13-7-8-14-11-19-20-16(14)9-13/h2-11H,1H3,(H,18,21)(H,19,20)/b15-10+.
What are the key properties of (E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide?
(E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide has a molecular weight of 277.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-indazol-6-yl)-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 67356625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).