ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate

C16H27N3O2 — CID 60992807

IUPACethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate
SMILESCCOC(=O)C(C)(NCCN(CC)CC)c1cccnc1
InChIInChI=1S/C16H27N3O2/c1-5-19(6-2)12-11-18-16(4,15(20)21-7-3)14-9-8-10-17-13-14/h8-10,13,18H,5-7,11-12H2,1-4H3
InChIKeyWNEYXYPPIZMACZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.79
Rot. Bonds9

About ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate

ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate (PubChem CID 60992807) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate
PubChem CID60992807
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nameethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate
SMILESCCOC(=O)C(C)(NCCN(CC)CC)c1cccnc1
InChIInChI=1S/C16H27N3O2/c1-5-19(6-2)12-11-18-16(4,15(20)21-7-3)14-9-8-10-17-13-14/h8-10,13,18H,5-7,11-12H2,1-4H3
InChIKeyWNEYXYPPIZMACZ-UHFFFAOYSA-N
XLogP1.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate
CID 66189937
methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate
CID 60993800
diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate
CID 61001179
2-(2-methoxyethylamino)-2-pyridin-3-ylpropanamide
CID 62540330
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-hydroxyphenyl)propanoate
CID 61001416
triethyl 2-pyridin-3-ylpropane-1,2,3-tricarboxylate
CID 6710382
ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate
CID 61001287
3-ethoxy-2-methylsulfanyl-3-oxo-2-pyridin-3-ylpropanoic acid
CID 70347165
methyl 2-(prop-2-ynylamino)-2-pyridin-3-ylpropanoate
CID 62365284
ethyl 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-pyridin-3-ylpropanoate
CID 122146089
2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid
CID 114990589

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate?
The IUPAC name of ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate (CID 60992807) is ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate.
What is the SMILES notation for ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate?
The canonical SMILES for ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate is CCOC(=O)C(C)(NCCN(CC)CC)c1cccnc1.
What is the InChIKey of ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate?
The InChIKey is WNEYXYPPIZMACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-19(6-2)12-11-18-16(4,15(20)21-7-3)14-9-8-10-17-13-14/h8-10,13,18H,5-7,11-12H2,1-4H3.
What are the key properties of ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate?
ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate has a molecular weight of 293.41 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate is sourced from PubChem (CID 60992807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).