N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride

C15H25Cl2N3O — CID 120671038

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride
SMILESCc1cncc(C(=O)NCC2NCCCC2(C)C)c1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-11-7-12(9-16-8-11)14(19)18-10-13-15(2,3)5-4-6-17-13;;/h7-9,13,17H,4-6,10H2,1-3H3,(H,18,19);2*1H
InChIKeyDOZFHCRHXBDJHK-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.74
Rot. Bonds3

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride

N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride (PubChem CID 120671038) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride
PubChem CID120671038
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride
SMILESCc1cncc(C(=O)NCC2NCCCC2(C)C)c1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-11-7-12(9-16-8-11)14(19)18-10-13-15(2,3)5-4-6-17-13;;/h7-9,13,17H,4-6,10H2,1-3H3,(H,18,19);2*1H
InChIKeyDOZFHCRHXBDJHK-UHFFFAOYSA-N
XLogP2.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,3-dimethylpiperidin-2-yl)methyl]benzamide;hydrochloride
CID 120670782
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120670803
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120671060
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120670985
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride
CID 120671025
N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methylpyridine-2-carboxamide;dihydrochloride
CID 120671077
N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide
CID 120670665
5-methyl-N-(4-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride
CID 120567166
N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 120670741
N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride
CID 120670986
2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride
CID 120670746
4-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluorobenzamide;hydrochloride
CID 120670694

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride (CID 120671038) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride is Cc1cncc(C(=O)NCC2NCCCC2(C)C)c1.Cl.Cl.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is DOZFHCRHXBDJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c1-11-7-12(9-16-8-11)14(19)18-10-13-15(2,3)5-4-6-17-13;;/h7-9,13,17H,4-6,10H2,1-3H3,(H,18,19);2*1H.
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120671038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).