4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine

C13H21N3O2 — CID 103541923

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine
SMILESCCNc1cc(N2CC(OC)C(OC)C2)ccn1
InChIInChI=1S/C13H21N3O2/c1-4-14-13-7-10(5-6-15-13)16-8-11(17-2)12(9-16)18-3/h5-7,11-12H,4,8-9H2,1-3H3,(H,14,15)
InChIKeyOPYHRPAQTDGJKE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.36
Rot. Bonds5

About 4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine

4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine (PubChem CID 103541923) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine
PubChem CID103541923
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine
SMILESCCNc1cc(N2CC(OC)C(OC)C2)ccn1
InChIInChI=1S/C13H21N3O2/c1-4-14-13-7-10(5-6-15-13)16-8-11(17-2)12(9-16)18-3/h5-7,11-12H,4,8-9H2,1-3H3,(H,14,15)
InChIKeyOPYHRPAQTDGJKE-UHFFFAOYSA-N
XLogP1.36
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103539519
4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine
CID 113367668
N-ethyl-4-(4-ethylpiperazin-1-yl)pyridin-2-amine
CID 113367464
4-[2-(ethylamino)-4-pyridinyl]-1-methyl-1,4-diazepan-2-one
CID 102887827
4-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridin-2-amine
CID 146934243
1-[2-(methylamino)-4-pyridinyl]pyrrolidine-3,4-diol
CID 106674497
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine
CID 58227177
4-(3-methoxypyrrolidin-1-yl)-N-methylpyridin-2-amine
CID 103541733
N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine
CID 58227172
N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538318
N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 75047936
[1-[2-(ethylamino)-4-pyridinyl]azepan-2-yl]methanol
CID 116640751

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine (CID 103541923) is 4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine is CCNc1cc(N2CC(OC)C(OC)C2)ccn1.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine?
The InChIKey is OPYHRPAQTDGJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-14-13-7-10(5-6-15-13)16-8-11(17-2)12(9-16)18-3/h5-7,11-12H,4,8-9H2,1-3H3,(H,14,15).
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine?
4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 103541923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).