N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide

C17H24N4O — CID 22933593

IUPACN-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide
SMILESCCCCN1CCCC(NC(=O)c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C17H24N4O/c1-2-3-8-21-9-4-5-15(12-21)19-17(22)13-6-7-16-14(10-13)11-18-20-16/h6-7,10-11,15H,2-5,8-9,12H2,1H3,(H,18,20)(H,19,22)
InChIKeyJBQHEFBCQMPXDY-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.56
Rot. Bonds5

About N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide

N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide (PubChem CID 22933593) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide
PubChem CID22933593
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide
SMILESCCCCN1CCCC(NC(=O)c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C17H24N4O/c1-2-3-8-21-9-4-5-15(12-21)19-17(22)13-6-7-16-14(10-13)11-18-20-16/h6-7,10-11,15H,2-5,8-9,12H2,1H3,(H,18,20)(H,19,22)
InChIKeyJBQHEFBCQMPXDY-UHFFFAOYSA-N
XLogP2.56
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide
CID 22933430
N-(1-cyclopentylpiperidin-3-yl)-1H-indazole-5-carboxamide
CID 22933774
N-(1-methylpiperidin-3-yl)-1H-indazole-6-carboxamide
CID 55133135
N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide
CID 67561766
N-(1-propylpiperidin-4-yl)-1H-indazole-6-carboxamide
CID 60715287
N-(3-methylcyclopentyl)-1H-indazole-5-carboxamide
CID 114550169
N-[4-(propan-2-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 18447571
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 97056408
N-(1-methylpiperidin-4-yl)-1H-indazole-6-carboxamide
CID 62905083
2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
CID 90978289
4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 60810348
N-[(3R)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-6-carboxamide
CID 67562654

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide (CID 22933593) is N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide is CCCCN1CCCC(NC(=O)c2ccc3[nH]ncc3c2)C1.
What is the InChIKey of N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide?
The InChIKey is JBQHEFBCQMPXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-3-8-21-9-4-5-15(12-21)19-17(22)13-6-7-16-14(10-13)11-18-20-16/h6-7,10-11,15H,2-5,8-9,12H2,1H3,(H,18,20)(H,19,22).
What are the key properties of N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide?
N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 22933593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).