3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

C13H19Cl2N3O — CID 106620995

IUPAC3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCOCCN(CC1CCCN1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-19-6-5-18(9-11-3-2-4-16-11)13-12(15)7-10(14)8-17-13/h7-8,11,16H,2-6,9H2,1H3
InChIKeyXQPUFKQGQFDBRZ-UHFFFAOYSA-N
MW304.22 g/mol
LogP2.59
Rot. Bonds6

About 3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (PubChem CID 106620995) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
PubChem CID106620995
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCOCCN(CC1CCCN1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-19-6-5-18(9-11-3-2-4-16-11)13-12(15)7-10(14)8-17-13/h7-8,11,16H,2-6,9H2,1H3
InChIKeyXQPUFKQGQFDBRZ-UHFFFAOYSA-N
XLogP2.59
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106618965
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 106621078
5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106621125
6-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620842
N-[(3,4-dichlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606072
N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106620958
N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106621007
5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642347
N-[(4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606243
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620455
3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine
CID 57061640
3-bromo-5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzonitrile
CID 106620864

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (CID 106620995) is 3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is COCCN(CC1CCCN1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is XQPUFKQGQFDBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-19-6-5-18(9-11-3-2-4-16-11)13-12(15)7-10(14)8-17-13/h7-8,11,16H,2-6,9H2,1H3.
What are the key properties of 3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 304.22 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106620995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).