2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide

C17H18N4O2 — CID 46226375

IUPAC2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1OC
InChIInChI=1S/C17H18N4O2/c1-19-9-11-6-7-13(8-15(11)23-2)21-10-12-4-3-5-14(17(18)22)16(12)20-21/h3-8,10,19H,9H2,1-2H3,(H2,18,22)
InChIKeyRMXNYGKHLCDIQU-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.85
Rot. Bonds5

About 2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide

2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide (PubChem CID 46226375) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide
PubChem CID46226375
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1OC
InChIInChI=1S/C17H18N4O2/c1-19-9-11-6-7-13(8-15(11)23-2)21-10-12-4-3-5-14(17(18)22)16(12)20-21/h3-8,10,19H,9H2,1-2H3,(H2,18,22)
InChIKeyRMXNYGKHLCDIQU-UHFFFAOYSA-N
XLogP1.85
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide (CID 46226375) is 2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide is CNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1OC.
What is the InChIKey of 2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The InChIKey is RMXNYGKHLCDIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-19-9-11-6-7-13(8-15(11)23-2)21-10-12-4-3-5-14(17(18)22)16(12)20-21/h3-8,10,19H,9H2,1-2H3,(H2,18,22).
What are the key properties of 2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(methylaminomethyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).