ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate

C11H17N3O2 — CID 104534061

IUPACethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate
SMILESCCOC(=O)CCNc1cncc(NC)c1
InChIInChI=1S/C11H17N3O2/c1-3-16-11(15)4-5-14-10-6-9(12-2)7-13-8-10/h6-8,12,14H,3-5H2,1-2H3
InChIKeyGXKSKFVQBFBJGG-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.49
Rot. Bonds6

About ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate

ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate (PubChem CID 104534061) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate
PubChem CID104534061
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate
SMILESCCOC(=O)CCNc1cncc(NC)c1
InChIInChI=1S/C11H17N3O2/c1-3-16-11(15)4-5-14-10-6-9(12-2)7-13-8-10/h6-8,12,14H,3-5H2,1-2H3
InChIKeyGXKSKFVQBFBJGG-UHFFFAOYSA-N
XLogP1.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride
CID 172819614
5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide
CID 113423927
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
ethyl 3-anilinopropanoate
CID 10910393
ethyl 3-(4-methylanilino)propanoate
CID 23052674
ethyl 2-[(5-amino-3-pyridinyl)amino]acetate
CID 104533108
ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 80816426
3-(3,5-dimethylanilino)propanamide;ethyl 3-(3,5-dimethylanilino)propanoate;methane
CID 160767961
N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535849
ethyl 3-(3,4-dibromoanilino)propanoate
CID 23052858
ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate
CID 82316783

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate?
The IUPAC name of ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate (CID 104534061) is ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate is CCOC(=O)CCNc1cncc(NC)c1.
What is the InChIKey of ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate?
The InChIKey is GXKSKFVQBFBJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-16-11(15)4-5-14-10-6-9(12-2)7-13-8-10/h6-8,12,14H,3-5H2,1-2H3.
What are the key properties of ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate?
ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate has a molecular weight of 223.28 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate is sourced from PubChem (CID 104534061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).