2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride

C17H19Cl4N3O2 — CID 119554680

IUPAC2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
SMILESCN(C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)C1CCNC1.Cl.Cl
InChIInChI=1S/C17H17Cl2N3O2.2ClH/c1-22(12-6-8-20-10-12)17(23)13-3-2-7-21-16(13)24-15-5-4-11(18)9-14(15)19;;/h2-5,7,9,12,20H,6,8,10H2,1H3;2*1H
InChIKeyFQWOYDJEWODJGR-UHFFFAOYSA-N
MW439.17 g/mol
LogP4.46
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride

2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 119554680) has the molecular formula C17H19Cl4N3O2 and a molecular weight of 439.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
PubChem CID119554680
Molecular FormulaC17H19Cl4N3O2
Molecular Weight439.17 g/mol
Exact Mass437.02
IUPAC Name2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
SMILESCN(C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)C1CCNC1.Cl.Cl
InChIInChI=1S/C17H17Cl2N3O2.2ClH/c1-22(12-6-8-20-10-12)17(23)13-3-2-7-21-16(13)24-15-5-4-11(18)9-14(15)19;;/h2-5,7,9,12,20H,6,8,10H2,1H3;2*1H
InChIKeyFQWOYDJEWODJGR-UHFFFAOYSA-N
XLogP4.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.17
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

2-[[2-(2,4-dichlorophenoxy)pyridine-3-carbonyl]-methylamino]acetic acid
CID 99697568
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone;dihydrochloride
CID 120659391
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550406
2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride
CID 170944074
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550666
7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 138050895
2-[(4-chlorophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552537
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 119514700
2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride
CID 120601228
N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride
CID 119553397

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride (CID 119554680) is 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride is CN(C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)C1CCNC1.Cl.Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is FQWOYDJEWODJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2.2ClH/c1-22(12-6-8-20-10-12)17(23)13-3-2-7-21-16(13)24-15-5-4-11(18)9-14(15)19;;/h2-5,7,9,12,20H,6,8,10H2,1H3;2*1H.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride?
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 439.17 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119554680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).