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

C16H16N4O — CID 44549775

IUPAC2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C16H16N4O/c1-18-9-11-5-7-13(8-6-11)20-10-12-3-2-4-14(16(17)21)15(12)19-20/h2-8,10,18H,9H2,1H3,(H2,17,21)
InChIKeyBNTVUFYBGXHEDO-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.84
Rot. Bonds4

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

2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide (PubChem CID 44549775) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide
PubChem CID44549775
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C16H16N4O/c1-18-9-11-5-7-13(8-6-11)20-10-12-3-2-4-14(16(17)21)15(12)19-20/h2-8,10,18H,9H2,1H3,(H2,17,21)
InChIKeyBNTVUFYBGXHEDO-UHFFFAOYSA-N
XLogP1.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide (CID 44549775) is 2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide is CNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.
What is the InChIKey of 2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The InChIKey is BNTVUFYBGXHEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-18-9-11-5-7-13(8-6-11)20-10-12-3-2-4-14(16(17)21)15(12)19-20/h2-8,10,18H,9H2,1H3,(H2,17,21).
What are the key properties of 2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 44549775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).