N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride

C17H21Cl2N3O — CID 119552361

IUPACN-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
SMILESCN(C(=O)c1cncc(-c2ccccc2)c1)C1CCNC1.Cl.Cl
InChIInChI=1S/C17H19N3O.2ClH/c1-20(16-7-8-18-12-16)17(21)15-9-14(10-19-11-15)13-5-3-2-4-6-13;;/h2-6,9-11,16,18H,7-8,12H2,1H3;2*1H
InChIKeyOSROKZQLIFJKNG-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.03
Rot. Bonds3

About N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride

N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 119552361) has the molecular formula C17H21Cl2N3O and a molecular weight of 354.28 g/mol. Its IUPAC name is N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
PubChem CID119552361
Molecular FormulaC17H21Cl2N3O
Molecular Weight354.28 g/mol
Exact Mass353.11
IUPAC NameN-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
SMILESCN(C(=O)c1cncc(-c2ccccc2)c1)C1CCNC1.Cl.Cl
InChIInChI=1S/C17H19N3O.2ClH/c1-20(16-7-8-18-12-16)17(21)15-9-14(10-19-11-15)13-5-3-2-4-6-13;;/h2-6,9-11,16,18H,7-8,12H2,1H3;2*1H
InChIKeyOSROKZQLIFJKNG-UHFFFAOYSA-N
XLogP3.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119552362
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CID 119824704
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
5-fluoro-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide
CID 104786200
5-hydroxy-N-methyl-N-piperidin-3-ylpyridine-3-carboxamide
CID 63850199
1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119552240
5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535829
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride (CID 119552361) is N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride is CN(C(=O)c1cncc(-c2ccccc2)c1)C1CCNC1.Cl.Cl.
What is the InChIKey of N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is OSROKZQLIFJKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.2ClH/c1-20(16-7-8-18-12-16)17(21)15-9-14(10-19-11-15)13-5-3-2-4-6-13;;/h2-6,9-11,16,18H,7-8,12H2,1H3;2*1H.
What are the key properties of N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride?
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 354.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119552361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).