cis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide

C16H22N4O — CID 172895408

IUPACcis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide
SMILESCc1c2cccc(NC(=O)[C@H]3CCCC[C@H]3N)c2nn1C
InChIInChI=1S/C16H22N4O/c1-10-11-7-5-9-14(15(11)19-20(10)2)18-16(21)12-6-3-4-8-13(12)17/h5,7,9,12-13H,3-4,6,8,17H2,1-2H3,(H,18,21)/t12-,13+/m0/s1
InChIKeyZLQCSCUHKAHJTF-QWHCGFSZSA-N
MW286.38 g/mol
LogP2.34
Rot. Bonds2

About cis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide

cis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide (PubChem CID 172895408) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is cis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide
PubChem CID172895408
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Namecis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide
SMILESCc1c2cccc(NC(=O)[C@H]3CCCC[C@H]3N)c2nn1C
InChIInChI=1S/C16H22N4O/c1-10-11-7-5-9-14(15(11)19-20(10)2)18-16(21)12-6-3-4-8-13(12)17/h5,7,9,12-13H,3-4,6,8,17H2,1-2H3,(H,18,21)/t12-,13+/m0/s1
InChIKeyZLQCSCUHKAHJTF-QWHCGFSZSA-N
XLogP2.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide (CID 172895408) is cis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide is Cc1c2cccc(NC(=O)[C@H]3CCCC[C@H]3N)c2nn1C.
What is the InChIKey of cis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide?
The InChIKey is ZLQCSCUHKAHJTF-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-11-7-5-9-14(15(11)19-20(10)2)18-16(21)12-6-3-4-8-13(12)17/h5,7,9,12-13H,3-4,6,8,17H2,1-2H3,(H,18,21)/t12-,13+/m0/s1.
What are the key properties of cis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide?
cis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 172895408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).