N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide

C16H14N4O2 — CID 166189674

IUPACN-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide
SMILESNC(=O)C(NC(=O)c1cccc2cn[nH]c12)c1ccccc1
InChIInChI=1S/C16H14N4O2/c17-15(21)14(10-5-2-1-3-6-10)19-16(22)12-8-4-7-11-9-18-20-13(11)12/h1-9,14H,(H2,17,21)(H,18,20)(H,19,22)
InChIKeyQRVOQXKXRYPYHF-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.52
Rot. Bonds4

About N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide

N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide (PubChem CID 166189674) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide
PubChem CID166189674
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide
SMILESNC(=O)C(NC(=O)c1cccc2cn[nH]c12)c1ccccc1
InChIInChI=1S/C16H14N4O2/c17-15(21)14(10-5-2-1-3-6-10)19-16(22)12-8-4-7-11-9-18-20-13(11)12/h1-9,14H,(H2,17,21)(H,18,20)(H,19,22)
InChIKeyQRVOQXKXRYPYHF-UHFFFAOYSA-N
XLogP1.52
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid
CID 75516569
(2S)-5-amino-2-(1H-indazole-7-carbonylamino)-5-oxopentanoic acid
CID 167788429
3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid
CID 75526368
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide
CID 55972822
N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide
CID 67472963
N'-methyl-N'-phenyl-1H-indazole-7-carbohydrazide
CID 69242941
4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid
CID 75498144
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 110885725
N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide
CID 51492407
N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 166189190
N-(3,4-dichlorophenyl)-1H-indazole-7-carboxamide
CID 43048604
[phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate
CID 86863186

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide (CID 166189674) is N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide is NC(=O)C(NC(=O)c1cccc2cn[nH]c12)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide?
The InChIKey is QRVOQXKXRYPYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-15(21)14(10-5-2-1-3-6-10)19-16(22)12-8-4-7-11-9-18-20-13(11)12/h1-9,14H,(H2,17,21)(H,18,20)(H,19,22).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide is sourced from PubChem (CID 166189674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).