N-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide

C20H23N5O2 — CID 164885959

IUPACN-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide
SMILESCC(C)(C)CNC(=O)Nc1ccc(NC(=O)c2cccc3cn[nH]c23)cc1
InChIInChI=1S/C20H23N5O2/c1-20(2,3)12-21-19(27)24-15-9-7-14(8-10-15)23-18(26)16-6-4-5-13-11-22-25-17(13)16/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26)(H2,21,24,27)
InChIKeyRKYDKVAEPCHCFH-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.98
Rot. Bonds4

About N-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide

N-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide (PubChem CID 164885959) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide
PubChem CID164885959
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide
SMILESCC(C)(C)CNC(=O)Nc1ccc(NC(=O)c2cccc3cn[nH]c23)cc1
InChIInChI=1S/C20H23N5O2/c1-20(2,3)12-21-19(27)24-15-9-7-14(8-10-15)23-18(26)16-6-4-5-13-11-22-25-17(13)16/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26)(H2,21,24,27)
InChIKeyRKYDKVAEPCHCFH-UHFFFAOYSA-N
XLogP3.98
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide (CID 164885959) is N-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide is CC(C)(C)CNC(=O)Nc1ccc(NC(=O)c2cccc3cn[nH]c23)cc1.
What is the InChIKey of N-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide?
The InChIKey is RKYDKVAEPCHCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-20(2,3)12-21-19(27)24-15-9-7-14(8-10-15)23-18(26)16-6-4-5-13-11-22-25-17(13)16/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26)(H2,21,24,27).
What are the key properties of N-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide?
N-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylpropylcarbamoylamino)phenyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 164885959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).