N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide

C16H12N4O — CID 60737768

IUPACN-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C16H12N4O/c17-9-11-5-7-12(8-6-11)10-18-16(21)15-13-3-1-2-4-14(13)19-20-15/h1-8H,10H2,(H,18,21)(H,19,20)
InChIKeyXEVMEKXUBLMMCD-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.36
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide

N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide (PubChem CID 60737768) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide
PubChem CID60737768
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC NameN-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C16H12N4O/c17-9-11-5-7-12(8-6-11)10-18-16(21)15-13-3-1-2-4-14(13)19-20-15/h1-8H,10H2,(H,18,21)(H,19,20)
InChIKeyXEVMEKXUBLMMCD-UHFFFAOYSA-N
XLogP2.36
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998
N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 40711329
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 17471128
N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide
CID 107809699
N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 37017710
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 9269012
N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 69079053
N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60506475

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide (CID 60737768) is N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide is N#Cc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide?
The InChIKey is XEVMEKXUBLMMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-9-11-5-7-12(8-6-11)10-18-16(21)15-13-3-1-2-4-14(13)19-20-15/h1-8H,10H2,(H,18,21)(H,19,20).
What are the key properties of N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide?
N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 60737768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).