N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide

C12H16N4O — CID 65193937

IUPACN-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide
SMILESCCC(CN)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C12H16N4O/c1-2-10(6-13)15-12(17)8-3-4-9-7-14-16-11(9)5-8/h3-5,7,10H,2,6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyNSAYOOABRUPRIM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.03
Rot. Bonds4

About N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide

N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide (PubChem CID 65193937) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide
PubChem CID65193937
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide
SMILESCCC(CN)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C12H16N4O/c1-2-10(6-13)15-12(17)8-3-4-9-7-14-16-11(9)5-8/h3-5,7,10H,2,6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyNSAYOOABRUPRIM-UHFFFAOYSA-N
XLogP1.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1H-indazole-6-carboxamide
CID 63888929
N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 55023710
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119
(2S)-2-(1H-indazole-6-carbonylamino)-4-methylpentanoic acid
CID 61154648
N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63194069
N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide
CID 106352905
N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63010618
N-(3-aminobutyl)-1H-indazole-6-carboxamide
CID 63253437
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide
CID 106156100
N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide
CID 62907370
3-N-(1-aminobutan-2-yl)benzene-1,3-dicarboxamide
CID 65193984

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide (CID 65193937) is N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide is CCC(CN)NC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide?
The InChIKey is NSAYOOABRUPRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-10(6-13)15-12(17)8-3-4-9-7-14-16-11(9)5-8/h3-5,7,10H,2,6,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide?
N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 65193937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).