N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide

C18H16N4O2 — CID 71682143

IUPACN-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
SMILESCCOc1cc2c(-c3cccc(NC(C)=O)c3)n[nH]c2cc1C#N
InChIInChI=1S/C18H16N4O2/c1-3-24-17-9-15-16(8-13(17)10-19)21-22-18(15)12-5-4-6-14(7-12)20-11(2)23/h4-9H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRIZAQRVECMBTPF-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.46
Rot. Bonds4

About N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide

N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide (PubChem CID 71682143) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
PubChem CID71682143
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
SMILESCCOc1cc2c(-c3cccc(NC(C)=O)c3)n[nH]c2cc1C#N
InChIInChI=1S/C18H16N4O2/c1-3-24-17-9-15-16(8-13(17)10-19)21-22-18(15)12-5-4-6-14(7-12)20-11(2)23/h4-9H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRIZAQRVECMBTPF-UHFFFAOYSA-N
XLogP3.46
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide?
The IUPAC name of N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide (CID 71682143) is N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide is CCOc1cc2c(-c3cccc(NC(C)=O)c3)n[nH]c2cc1C#N.
What is the InChIKey of N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide?
The InChIKey is RIZAQRVECMBTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-3-24-17-9-15-16(8-13(17)10-19)21-22-18(15)12-5-4-6-14(7-12)20-11(2)23/h4-9H,3H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide?
N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide has a molecular weight of 320.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 71682143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).