(E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide

C16H14N4O — CID 115343106

IUPAC(E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C16H14N4O/c17-13-3-1-2-11(8-13)4-7-16(21)19-14-6-5-12-10-18-20-15(12)9-14/h1-10H,17H2,(H,18,20)(H,19,21)/b7-4+
InChIKeyPMZJXZBVPVFXCH-QPJJXVBHSA-N
MW278.31 g/mol
LogP2.80
Rot. Bonds3

About (E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide (PubChem CID 115343106) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide
PubChem CID115343106
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name(E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C16H14N4O/c17-13-3-1-2-11(8-13)4-7-16(21)19-14-6-5-12-10-18-20-15(12)9-14/h1-10H,17H2,(H,18,20)(H,19,21)/b7-4+
InChIKeyPMZJXZBVPVFXCH-QPJJXVBHSA-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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Related Compounds

N-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide
CID 174050809
(E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
CID 115343051
(E)-N-(2,6-dimethylphenyl)-3-(1H-indazol-6-yl)prop-2-enamide
CID 168865120
(E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide
CID 115344816
(E)-3-(3-aminophenyl)-N-(4-bromo-3-chlorophenyl)prop-2-enamide
CID 107620216
(E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
CID 17164818
(E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 115342730
(E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide
CID 114839695
(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 115342702
(E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 39406540
N-(1H-indazol-6-yl)-N'-pyrimidin-2-yloxamide
CID 108520740
(E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide
CID 115344407

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide (CID 115343106) is (E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide is Nc1cccc(/C=C/C(=O)Nc2ccc3cn[nH]c3c2)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide?
The InChIKey is PMZJXZBVPVFXCH-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H14N4O/c17-13-3-1-2-11(8-13)4-7-16(21)19-14-6-5-12-10-18-20-15(12)9-14/h1-10H,17H2,(H,18,20)(H,19,21)/b7-4+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(1H-indazol-6-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-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide is sourced from PubChem (CID 115343106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).