N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide

C24H20N4O3 — CID 162660618

IUPACN-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cccc(OC)c3)ccc12
InChIInChI=1S/C24H20N4O3/c1-3-22(29)25-20-10-5-4-9-19(20)24(30)26-23-18-12-11-16(14-21(18)27-28-23)15-7-6-8-17(13-15)31-2/h3-14H,1H2,2H3,(H,25,29)(H2,26,27,28,30)
InChIKeyWVNLRNRDQZGYRV-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.62
Rot. Bonds6

About N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide

N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide (PubChem CID 162660618) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
PubChem CID162660618
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cccc(OC)c3)ccc12
InChIInChI=1S/C24H20N4O3/c1-3-22(29)25-20-10-5-4-9-19(20)24(30)26-23-18-12-11-16(14-21(18)27-28-23)15-7-6-8-17(13-15)31-2/h3-14H,1H2,2H3,(H,25,29)(H2,26,27,28,30)
InChIKeyWVNLRNRDQZGYRV-UHFFFAOYSA-N
XLogP4.62
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
The IUPAC name of N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide (CID 162660618) is N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3cccc(OC)c3)ccc12.
What is the InChIKey of N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
The InChIKey is WVNLRNRDQZGYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-3-22(29)25-20-10-5-4-9-19(20)24(30)26-23-18-12-11-16(14-21(18)27-28-23)15-7-6-8-17(13-15)31-2/h3-14H,1H2,2H3,(H,25,29)(H2,26,27,28,30).
What are the key properties of N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide?
N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide has a molecular weight of 412.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 162660618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).