N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride

C13H22Cl2N4O — CID 119850310

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCN(C)c1ccc(CNC(=O)C2CCCN2)cn1.Cl.Cl
InChIInChI=1S/C13H20N4O.2ClH/c1-17(2)12-6-5-10(8-15-12)9-16-13(18)11-4-3-7-14-11;;/h5-6,8,11,14H,3-4,7,9H2,1-2H3,(H,16,18);2*1H
InChIKeyIGWFIQNIWJPNOJ-UHFFFAOYSA-N
MW321.25 g/mol
LogP1.36
Rot. Bonds4

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride

N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119850310) has the molecular formula C13H22Cl2N4O and a molecular weight of 321.25 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119850310
Molecular FormulaC13H22Cl2N4O
Molecular Weight321.25 g/mol
Exact Mass320.12
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCN(C)c1ccc(CNC(=O)C2CCCN2)cn1.Cl.Cl
InChIInChI=1S/C13H20N4O.2ClH/c1-17(2)12-6-5-10(8-15-12)9-16-13(18)11-4-3-7-14-11;;/h5-6,8,11,14H,3-4,7,9H2,1-2H3,(H,16,18);2*1H
InChIKeyIGWFIQNIWJPNOJ-UHFFFAOYSA-N
XLogP1.36
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
(2R)-N-[6-(dimethylamino)-3-pyridinyl]piperidine-2-carboxamide
CID 104912943
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119289297
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119855878
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119304111
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
(2R)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-2-carboxamide
CID 119846204
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119850310) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride is CN(C)c1ccc(CNC(=O)C2CCCN2)cn1.Cl.Cl.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is IGWFIQNIWJPNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.2ClH/c1-17(2)12-6-5-10(8-15-12)9-16-13(18)11-4-3-7-14-11;;/h5-6,8,11,14H,3-4,7,9H2,1-2H3,(H,16,18);2*1H.
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 321.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119850310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).