ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate

C12H19N3O2 — CID 82316783

IUPACethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate
SMILESCCOC(=O)CCNc1ccc(N(C)C)nc1
InChIInChI=1S/C12H19N3O2/c1-4-17-12(16)7-8-13-10-5-6-11(14-9-10)15(2)3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyLCZLCYSVEJWZBU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.51
Rot. Bonds6

About ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate

ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate (PubChem CID 82316783) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate
PubChem CID82316783
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate
SMILESCCOC(=O)CCNc1ccc(N(C)C)nc1
InChIInChI=1S/C12H19N3O2/c1-4-17-12(16)7-8-13-10-5-6-11(14-9-10)15(2)3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyLCZLCYSVEJWZBU-UHFFFAOYSA-N
XLogP1.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(4-methylanilino)propanoate
CID 23052674
ethyl 3-anilinopropanoate
CID 10910393
methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 113292407
ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride
CID 172819614
ethyl 3-(3,4-dibromoanilino)propanoate
CID 23052858
5-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 61325554
ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate
CID 104534061
ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate
CID 113367744
2-N,2-N-dimethyl-5-N-(3-methylbutyl)pyridine-2,5-diamine
CID 43690493
aniline;ethyl 3-anilinopropanoate
CID 158808649
ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011571
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60842943

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate?
The IUPAC name of ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate (CID 82316783) is ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate is CCOC(=O)CCNc1ccc(N(C)C)nc1.
What is the InChIKey of ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate?
The InChIKey is LCZLCYSVEJWZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-17-12(16)7-8-13-10-5-6-11(14-9-10)15(2)3/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate?
ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate is sourced from PubChem (CID 82316783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).