N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide

C15H20N4O2 — CID 60724448

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)17-13(20)9-19(4)14(21)10-5-6-11-8-16-18-12(11)7-10/h5-8H,9H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyDXPPYLBEFNQBGS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.55
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide (PubChem CID 60724448) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide
PubChem CID60724448
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)17-13(20)9-19(4)14(21)10-5-6-11-8-16-18-12(11)7-10/h5-8H,9H2,1-4H3,(H,16,18)(H,17,20)
InChIKeyDXPPYLBEFNQBGS-UHFFFAOYSA-N
XLogP1.55
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-1H-indazole-6-carboxamide
CID 60960458
N-methyl-N-(2-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 63960134
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride
CID 119691970
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide
CID 62921447
N,N-bis(2-amino-2-oxoethyl)-1H-indazole-6-carboxamide
CID 62923706
N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63194069
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
CID 60936833
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 103706525
N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 18118086
N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
CID 18118094
N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide
CID 113246168
N-cyclopentyl-N-ethyl-1H-indazole-6-carboxamide
CID 62905257

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide (CID 60724448) is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide is CN(CC(=O)NC(C)(C)C)C(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide?
The InChIKey is DXPPYLBEFNQBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)17-13(20)9-19(4)14(21)10-5-6-11-8-16-18-12(11)7-10/h5-8H,9H2,1-4H3,(H,16,18)(H,17,20).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide is sourced from PubChem (CID 60724448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).