N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide

C19H20N4O2 — CID 43052510

IUPACN-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cccc3cn[nH]c23)c1
InChIInChI=1S/C19H20N4O2/c1-3-23(4-2)19(25)13-7-5-9-15(11-13)21-18(24)16-10-6-8-14-12-20-22-17(14)16/h5-12H,3-4H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyVLKYDMCSOJLWHL-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.30
Rot. Bonds5

About N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide

N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide (PubChem CID 43052510) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide
PubChem CID43052510
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cccc3cn[nH]c23)c1
InChIInChI=1S/C19H20N4O2/c1-3-23(4-2)19(25)13-7-5-9-15(11-13)21-18(24)16-10-6-8-14-12-20-22-17(14)16/h5-12H,3-4H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyVLKYDMCSOJLWHL-UHFFFAOYSA-N
XLogP3.30
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
N-[3-(methoxymethyl)phenyl]-1H-indazole-7-carboxamide
CID 32639414
N-(3,4-dichlorophenyl)-1H-indazole-7-carboxamide
CID 43048604
N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 47036742
N-[2-(3-ethylanilino)-2-oxoethyl]-1H-indazole-7-carboxamide
CID 75418768
N-(3,5-dimethoxyphenyl)-1H-indazole-7-carboxamide
CID 36765506
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate
CID 34163636
N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide
CID 36835148
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1H-indazole-7-carboxamide
CID 32520598

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide (CID 43052510) is N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)c2cccc3cn[nH]c23)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide?
The InChIKey is VLKYDMCSOJLWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-23(4-2)19(25)13-7-5-9-15(11-13)21-18(24)16-10-6-8-14-12-20-22-17(14)16/h5-12H,3-4H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 43052510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).