N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide

C16H22N4O — CID 97056408

IUPACN-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide
SMILESCN(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C16H22N4O/c1-20(2)14-5-3-4-13(9-14)18-16(21)11-6-7-15-12(8-11)10-17-19-15/h6-8,10,13-14H,3-5,9H2,1-2H3,(H,17,19)(H,18,21)/t13-,14-/m1/s1
InChIKeyLYNRQZNPFUGZEO-ZIAGYGMSSA-N
MW286.38 g/mol
LogP2.17
Rot. Bonds3

About N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide

N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide (PubChem CID 97056408) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide
PubChem CID97056408
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide
SMILESCN(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C16H22N4O/c1-20(2)14-5-3-4-13(9-14)18-16(21)11-6-7-15-12(8-11)10-17-19-15/h6-8,10,13-14H,3-5,9H2,1-2H3,(H,17,19)(H,18,21)/t13-,14-/m1/s1
InChIKeyLYNRQZNPFUGZEO-ZIAGYGMSSA-N
XLogP2.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylcyclopentyl)-1H-indazole-5-carboxamide
CID 114550169
3-(1H-indazole-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030707
N-[4-(propan-2-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 18447571
N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide
CID 22933430
3-(1H-indazole-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043468
N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide
CID 67561766
4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 60810348
N-(1-cyclopentylpiperidin-3-yl)-1H-indazole-5-carboxamide
CID 22933774
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 97068063
3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide
CID 119889091
N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 22933507
N-(1-butylpiperidin-3-yl)-1H-indazole-5-carboxamide
CID 22933593

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide (CID 97056408) is N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide is CN(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc3[nH]ncc3c2)C1.
What is the InChIKey of N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide?
The InChIKey is LYNRQZNPFUGZEO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H22N4O/c1-20(2)14-5-3-4-13(9-14)18-16(21)11-6-7-15-12(8-11)10-17-19-15/h6-8,10,13-14H,3-5,9H2,1-2H3,(H,17,19)(H,18,21)/t13-,14-/m1/s1.
What are the key properties of N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide?
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 97056408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).