(E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide

C16H14N4O — CID 115343051

IUPAC(E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C16H14N4O/c17-13-4-1-11(2-5-13)3-8-16(21)19-14-6-7-15-12(9-14)10-18-20-15/h1-10H,17H2,(H,18,20)(H,19,21)/b8-3+
InChIKeyDVBMAHNCTYNMGM-FPYGCLRLSA-N
MW278.31 g/mol
LogP2.80
Rot. Bonds3

About (E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide (PubChem CID 115343051) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
PubChem CID115343051
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name(E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C16H14N4O/c17-13-4-1-11(2-5-13)3-8-16(21)19-14-6-7-15-12(9-14)10-18-20-15/h1-10H,17H2,(H,18,20)(H,19,21)/b8-3+
InChIKeyDVBMAHNCTYNMGM-FPYGCLRLSA-N
XLogP2.80
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide (CID 115343051) is (E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide is Nc1ccc(/C=C/C(=O)Nc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide?
The InChIKey is DVBMAHNCTYNMGM-FPYGCLRLSA-N. The full InChI is InChI=1S/C16H14N4O/c17-13-4-1-11(2-5-13)3-8-16(21)19-14-6-7-15-12(9-14)10-18-20-15/h1-10H,17H2,(H,18,20)(H,19,21)/b8-3+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide has a molecular weight of 278.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide is sourced from PubChem (CID 115343051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).