N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride

C15H23Cl2N5O — CID 119652843

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cc(-n2cccn2)ccn1.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-15(2,10-16)11-19(3)14(21)13-9-12(5-7-17-13)20-8-4-6-18-20;;/h4-9H,10-11,16H2,1-3H3;2*1H
InChIKeyOOQSYTWXPVUNEM-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.17
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride (PubChem CID 119652843) has the molecular formula C15H23Cl2N5O and a molecular weight of 360.29 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
PubChem CID119652843
Molecular FormulaC15H23Cl2N5O
Molecular Weight360.29 g/mol
Exact Mass359.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cc(-n2cccn2)ccn1.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-15(2,10-16)11-19(3)14(21)13-9-12(5-7-17-13)20-8-4-6-18-20;;/h4-9H,10-11,16H2,1-3H3;2*1H
InChIKeyOOQSYTWXPVUNEM-UHFFFAOYSA-N
XLogP2.17
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119581651
N-(2-amino-2-methylpropyl)-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119626185
N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119441469
N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119405198
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119655061
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119653449
N-[2-(methylamino)propyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 120827316
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119656567
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652672
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652439
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119653973
N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
CID 119656586

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride (CID 119652843) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride is CN(CC(C)(C)CN)C(=O)c1cc(-n2cccn2)ccn1.Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride?
The InChIKey is OOQSYTWXPVUNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.2ClH/c1-15(2,10-16)11-19(3)14(21)13-9-12(5-7-17-13)20-8-4-6-18-20;;/h4-9H,10-11,16H2,1-3H3;2*1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119652843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).