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

C17H16N4O2 — CID 18154228

IUPACN-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C17H16N4O2/c1-11(22)19-13-8-6-12(7-9-13)10-18-17(23)16-14-4-2-3-5-15(14)20-21-16/h2-9H,10H2,1H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyAZRFBTXSCWCEQG-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.45
Rot. Bonds4

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

N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide (PubChem CID 18154228) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
PubChem CID18154228
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C17H16N4O2/c1-11(22)19-13-8-6-12(7-9-13)10-18-17(23)16-14-4-2-3-5-15(14)20-21-16/h2-9H,10H2,1H3,(H,18,23)(H,19,22)(H,20,21)
InChIKeyAZRFBTXSCWCEQG-UHFFFAOYSA-N
XLogP2.45
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 17471128
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide
CID 60737768
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
N-[(4-acetamidophenyl)methyl]-4-amino-5-methyl-1H-pyrazole-3-carboxamide
CID 62081238
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-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 42477807
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide (CID 18154228) is N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide is CC(=O)Nc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide?
The InChIKey is AZRFBTXSCWCEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11(22)19-13-8-6-12(7-9-13)10-18-17(23)16-14-4-2-3-5-15(14)20-21-16/h2-9H,10H2,1H3,(H,18,23)(H,19,22)(H,20,21).
What are the key properties of N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide?
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 18154228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).