(Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide

C19H18N4O2 — CID 134135396

IUPAC(Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide
SMILESCCNC(=O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C19H18N4O2/c1-2-20-17(24)10-11-18(25)21-14-7-5-6-13(12-14)19-15-8-3-4-9-16(15)22-23-19/h3-12H,2H2,1H3,(H,20,24)(H,21,25)(H,22,23)/b11-10-
InChIKeyKNIPZTNCWMXIQG-KHPPLWFESA-N
MW334.38 g/mol
LogP2.86
Rot. Bonds5

About (Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide

(Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide (PubChem CID 134135396) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide.

Molecular Properties

Compound Name(Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide
PubChem CID134135396
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide
SMILESCCNC(=O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C19H18N4O2/c1-2-20-17(24)10-11-18(25)21-14-7-5-6-13(12-14)19-15-8-3-4-9-16(15)22-23-19/h3-12H,2H2,1H3,(H,20,24)(H,21,25)(H,22,23)/b11-10-
InChIKeyKNIPZTNCWMXIQG-KHPPLWFESA-N
XLogP2.86
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide?
The IUPAC name of (Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide (CID 134135396) is (Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide.
What is the SMILES notation for (Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide?
The canonical SMILES for (Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide is CCNC(=O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3ccccc23)c1.
What is the InChIKey of (Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide?
The InChIKey is KNIPZTNCWMXIQG-KHPPLWFESA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-20-17(24)10-11-18(25)21-14-7-5-6-13(12-14)19-15-8-3-4-9-16(15)22-23-19/h3-12H,2H2,1H3,(H,20,24)(H,21,25)(H,22,23)/b11-10-.
What are the key properties of (Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide?
(Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide has a molecular weight of 334.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-N'-[3-(1H-indazol-3-yl)phenyl]but-2-enediamide is sourced from PubChem (CID 134135396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).