2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride

C14H23Cl2N3O — CID 119537084

IUPAC2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1ccc(C(=O)NCCC2CCNC2)c(C)n1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-10-3-4-13(11(2)17-10)14(18)16-8-6-12-5-7-15-9-12;;/h3-4,12,15H,5-9H2,1-2H3,(H,16,18);2*1H
InChIKeyTYJQWSKBHRVQJT-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.27
Rot. Bonds4

About 2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride

2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119537084) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119537084
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC Name2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1ccc(C(=O)NCCC2CCNC2)c(C)n1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-10-3-4-13(11(2)17-10)14(18)16-8-6-12-5-7-15-9-12;;/h3-4,12,15H,5-9H2,1-2H3,(H,16,18);2*1H
InChIKeyTYJQWSKBHRVQJT-UHFFFAOYSA-N
XLogP2.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N-(2-pyrrolidin-3-ylethyl)naphthalene-2-carboxamide
CID 63622131
2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
CID 119537626
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119533790
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide
CID 63628731
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119533474
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536475
1-(4-chlorophenyl)-3-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119535760

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride (CID 119537084) is 2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride is Cc1ccc(C(=O)NCCC2CCNC2)c(C)n1.Cl.Cl.
What is the InChIKey of 2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is TYJQWSKBHRVQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-10-3-4-13(11(2)17-10)14(18)16-8-6-12-5-7-15-9-12;;/h3-4,12,15H,5-9H2,1-2H3,(H,16,18);2*1H.
What are the key properties of 2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119537084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).