N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride

C12H21Cl2N3O — CID 119653576

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-12(2,8-13)9-15(3)11(16)10-4-6-14-7-5-10;;/h4-7H,8-9,13H2,1-3H3;2*1H
InChIKeyCYURBUXXBVDOPE-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.98
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride (PubChem CID 119653576) has the molecular formula C12H21Cl2N3O and a molecular weight of 294.23 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
PubChem CID119653576
Molecular FormulaC12H21Cl2N3O
Molecular Weight294.23 g/mol
Exact Mass293.11
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-12(2,8-13)9-15(3)11(16)10-4-6-14-7-5-10;;/h4-7H,8-9,13H2,1-3H3;2*1H
InChIKeyCYURBUXXBVDOPE-UHFFFAOYSA-N
XLogP1.98
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide
CID 84515347
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(pyridin-4-ylsulfamoyl)benzamide;dihydrochloride
CID 119656862
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
CID 119656288
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 79652581
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919
N-(3-amino-2,2-dimethylpropyl)-N,6-dimethylpyridine-3-carboxamide
CID 79652120
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119652729
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 79652401
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide
CID 79652485

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride (CID 119653576) is N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride is CN(CC(C)(C)CN)C(=O)c1ccncc1.Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride?
The InChIKey is CYURBUXXBVDOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.2ClH/c1-12(2,8-13)9-15(3)11(16)10-4-6-14-7-5-10;;/h4-7H,8-9,13H2,1-3H3;2*1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride has a molecular weight of 294.23 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119653576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).