N-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide

C17H16N4O2 — CID 127026646

IUPACN-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C17H16N4O2/c1-21(2)17(23)11-7-9-12(10-8-11)18-16(22)15-13-5-3-4-6-14(13)19-20-15/h3-10H,1-2H3,(H,18,22)(H,19,20)
InChIKeyIDMVPWGARQYZPS-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.52
Rot. Bonds3

About N-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide

N-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 127026646) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID127026646
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C17H16N4O2/c1-21(2)17(23)11-7-9-12(10-8-11)18-16(22)15-13-5-3-4-6-14(13)19-20-15/h3-10H,1-2H3,(H,18,22)(H,19,20)
InChIKeyIDMVPWGARQYZPS-UHFFFAOYSA-N
XLogP2.52
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide (CID 127026646) is N-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide is CN(C)C(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is IDMVPWGARQYZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21(2)17(23)11-7-9-12(10-8-11)18-16(22)15-13-5-3-4-6-14(13)19-20-15/h3-10H,1-2H3,(H,18,22)(H,19,20).
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide?
N-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 127026646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).