1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride

C17H25Cl2N5O — CID 119848681

IUPAC1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3(N)CCCCC3)cn2)n1.Cl.Cl
InChIInChI=1S/C17H23N5O.2ClH/c1-12-10-13(2)22(21-12)15-7-6-14(11-19-15)20-16(23)17(18)8-4-3-5-9-17;;/h6-7,10-11H,3-5,8-9,18H2,1-2H3,(H,20,23);2*1H
InChIKeyURLYRGHUDZLXJA-UHFFFAOYSA-N
MW386.33 g/mol
LogP3.33
Rot. Bonds3

About 1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119848681) has the molecular formula C17H25Cl2N5O and a molecular weight of 386.33 g/mol. Its IUPAC name is 1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119848681
Molecular FormulaC17H25Cl2N5O
Molecular Weight386.33 g/mol
Exact Mass385.14
IUPAC Name1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3(N)CCCCC3)cn2)n1.Cl.Cl
InChIInChI=1S/C17H23N5O.2ClH/c1-12-10-13(2)22(21-12)15-7-6-14(11-19-15)20-16(23)17(18)8-4-3-5-9-17;;/h6-7,10-11H,3-5,8-9,18H2,1-2H3,(H,20,23);2*1H
InChIKeyURLYRGHUDZLXJA-UHFFFAOYSA-N
XLogP3.33
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119848681) is 1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride is Cc1cc(C)n(-c2ccc(NC(=O)C3(N)CCCCC3)cn2)n1.Cl.Cl.
What is the InChIKey of 1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is URLYRGHUDZLXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.2ClH/c1-12-10-13(2)22(21-12)15-7-6-14(11-19-15)20-16(23)17(18)8-4-3-5-9-17;;/h6-7,10-11H,3-5,8-9,18H2,1-2H3,(H,20,23);2*1H.
What are the key properties of 1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 386.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119848681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).