methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate

C15H25N3O2 — CID 60993800

IUPACmethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate
SMILESCCN(CC)CCNC(C)(C(=O)OC)c1ccncc1
InChIInChI=1S/C15H25N3O2/c1-5-18(6-2)12-11-17-15(3,14(19)20-4)13-7-9-16-10-8-13/h7-10,17H,5-6,11-12H2,1-4H3
InChIKeyWHUVJPWGJPMZDC-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.40
Rot. Bonds8

About methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate

methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate (PubChem CID 60993800) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate
PubChem CID60993800
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namemethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate
SMILESCCN(CC)CCNC(C)(C(=O)OC)c1ccncc1
InChIInChI=1S/C15H25N3O2/c1-5-18(6-2)12-11-17-15(3,14(19)20-4)13-7-9-16-10-8-13/h7-10,17H,5-6,11-12H2,1-4H3
InChIKeyWHUVJPWGJPMZDC-UHFFFAOYSA-N
XLogP1.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(propylamino)-2-pyridin-4-ylpropanoate
CID 60795990
ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate
CID 60992807
2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid
CID 60994645
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid
CID 60994370
methyl 2-[2-(diethylamino)ethylamino]-2-methylpropanoate
CID 60994914
2-[2-(diethylamino)ethylamino]-2-(4-ethylphenyl)propanamide
CID 60995324
methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate
CID 60994649
methyl 2-methyl-2-pyridin-4-ylpropanoate
CID 57421204
2-(butylamino)-2-pyridin-4-ylpropanoic acid
CID 114988882
methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate
CID 60994077
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate
CID 62541706
2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)propanamide
CID 60995329

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate?
The IUPAC name of methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate (CID 60993800) is methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate?
The canonical SMILES for methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate is CCN(CC)CCNC(C)(C(=O)OC)c1ccncc1.
What is the InChIKey of methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate?
The InChIKey is WHUVJPWGJPMZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-18(6-2)12-11-17-15(3,14(19)20-4)13-7-9-16-10-8-13/h7-10,17H,5-6,11-12H2,1-4H3.
What are the key properties of methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate?
methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate has a molecular weight of 279.38 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate is sourced from PubChem (CID 60993800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).