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

C18H18N4O — CID 143782020

IUPAC(E)-N-(2-aminoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide
SMILESNCCN(C(=O)/C=C/c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H18N4O/c19-12-13-22(14-6-2-1-3-7-14)18(23)11-10-17-15-8-4-5-9-16(15)20-21-17/h1-11H,12-13,19H2,(H,20,21)/b11-10+
InChIKeyYBRATSDMJWUKMH-ZHACJKMWSA-N
MW306.37 g/mol
LogP2.57
Rot. Bonds5

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

(E)-N-(2-aminoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide (PubChem CID 143782020) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (E)-N-(2-aminoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide
PubChem CID143782020
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(E)-N-(2-aminoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide
SMILESNCCN(C(=O)/C=C/c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H18N4O/c19-12-13-22(14-6-2-1-3-7-14)18(23)11-10-17-15-8-4-5-9-16(15)20-21-17/h1-11H,12-13,19H2,(H,20,21)/b11-10+
InChIKeyYBRATSDMJWUKMH-ZHACJKMWSA-N
XLogP2.57
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide
CID 74435227
2-(N-[(E)-3-(1H-indazol-3-yl)prop-2-enoyl]anilino)ethyl N-ethylcarbamate
CID 25253091
(E)-N-[3-[4-(2-cyanoacetyl)piperazin-1-yl]propyl]-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide
CID 25254330
(E)-N-(2-hydroxypropyl)-3-(1H-indazol-3-yl)-N-[3-(methylamino)phenyl]prop-2-enamide
CID 25253089
(E)-3-(4-chlorophenyl)-N-[2-(N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
CID 17195945
4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid
CID 11437002
3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole
CID 143268068
3-amino-1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]propan-1-one
CID 67090021
(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
CID 6132853
2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide
CID 68996590
ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole
CID 142995649
2-(N-[(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoyl]anilino)ethyl azetidine-1-carboxylate
CID 25253393

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-aminoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide (CID 143782020) is (E)-N-(2-aminoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-aminoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide is NCCN(C(=O)/C=C/c1n[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of (E)-N-(2-aminoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide?
The InChIKey is YBRATSDMJWUKMH-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H18N4O/c19-12-13-22(14-6-2-1-3-7-14)18(23)11-10-17-15-8-4-5-9-16(15)20-21-17/h1-11H,12-13,19H2,(H,20,21)/b11-10+.
What are the key properties of (E)-N-(2-aminoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide?
(E)-N-(2-aminoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide has a molecular weight of 306.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide is sourced from PubChem (CID 143782020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).