3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride

C15H23Cl2N5O — CID 120502939

IUPAC3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(NC(=O)C(C)C(C)N)cn2)n1.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-9-7-10(2)20(19-9)14-6-5-13(8-17-14)18-15(21)11(3)12(4)16;;/h5-8,11-12H,16H2,1-4H3,(H,18,21);2*1H
InChIKeyQQOOEJLLPSXEKR-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.65
Rot. Bonds4

About 3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride

3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride (PubChem CID 120502939) has the molecular formula C15H23Cl2N5O and a molecular weight of 360.29 g/mol. Its IUPAC name is 3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride
PubChem CID120502939
Molecular FormulaC15H23Cl2N5O
Molecular Weight360.29 g/mol
Exact Mass359.13
IUPAC Name3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(NC(=O)C(C)C(C)N)cn2)n1.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-9-7-10(2)20(19-9)14-6-5-13(8-17-14)18-15(21)11(3)12(4)16;;/h5-8,11-12H,16H2,1-4H3,(H,18,21);2*1H
InChIKeyQQOOEJLLPSXEKR-UHFFFAOYSA-N
XLogP2.65
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 31908169
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CID 120564625
1-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119848681
N-[(2R)-1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51873889
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
CID 31923949
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38420472
5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 31908021
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide
CID 31923974
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 31907855
cis-(1R,2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124623368
6-(aminomethyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 166362530

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride (CID 120502939) is 3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride is Cc1cc(C)n(-c2ccc(NC(=O)C(C)C(C)N)cn2)n1.Cl.Cl.
What is the InChIKey of 3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride?
The InChIKey is QQOOEJLLPSXEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.2ClH/c1-9-7-10(2)20(19-9)14-6-5-13(8-17-14)18-15(21)11(3)12(4)16;;/h5-8,11-12H,16H2,1-4H3,(H,18,21);2*1H.
What are the key properties of 3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120502939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).