ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate

C12H19N3O2 — CID 113367744

IUPACethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate
SMILESCCNc1cc(NCCC(=O)OCC)ccn1
InChIInChI=1S/C12H19N3O2/c1-3-13-11-9-10(5-7-15-11)14-8-6-12(16)17-4-2/h5,7,9H,3-4,6,8H2,1-2H3,(H2,13,14,15)
InChIKeyIGAPGNYFNBPDHA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.88
Rot. Bonds7

About ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate

ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate (PubChem CID 113367744) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate
PubChem CID113367744
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate
SMILESCCNc1cc(NCCC(=O)OCC)ccn1
InChIInChI=1S/C12H19N3O2/c1-3-13-11-9-10(5-7-15-11)14-8-6-12(16)17-4-2/h5,7,9H,3-4,6,8H2,1-2H3,(H2,13,14,15)
InChIKeyIGAPGNYFNBPDHA-UHFFFAOYSA-N
XLogP1.88
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(2-carbamothioyl-4-pyridinyl)amino]propanoate
CID 62926106
ethyl 3-(3,4-dibromoanilino)propanoate
CID 23052858
ethyl 3-anilinopropanoate
CID 10910393
ethyl 3-(4-methylanilino)propanoate
CID 23052674
ethyl 3-(3-ethylanilino)propanoate
CID 43365421
ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548
3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol
CID 106179413
ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride
CID 172819614
methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
CID 60926082
ethyl 3-[(4-aminopyrimidin-2-yl)amino]propanoate
CID 116795749
methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate
CID 113367704
ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate
CID 82316783

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate (CID 113367744) is ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate is CCNc1cc(NCCC(=O)OCC)ccn1.
What is the InChIKey of ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate?
The InChIKey is IGAPGNYFNBPDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-13-11-9-10(5-7-15-11)14-8-6-12(16)17-4-2/h5,7,9H,3-4,6,8H2,1-2H3,(H2,13,14,15).
What are the key properties of ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate?
ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate is sourced from PubChem (CID 113367744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).