ethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate

C16H18N2O3 — CID 45273395

IUPACethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cccc(NCc2ccccc2)c1=O
InChIInChI=1S/C16H18N2O3/c1-2-21-15(19)12-18-10-6-9-14(16(18)20)17-11-13-7-4-3-5-8-13/h3-10,17H,2,11-12H2,1H3
InChIKeyMRRLMZSMZVEWLU-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.02
Rot. Bonds6

About ethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate

ethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate (PubChem CID 45273395) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate
PubChem CID45273395
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cccc(NCc2ccccc2)c1=O
InChIInChI=1S/C16H18N2O3/c1-2-21-15(19)12-18-10-6-9-14(16(18)20)17-11-13-7-4-3-5-8-13/h3-10,17H,2,11-12H2,1H3
InChIKeyMRRLMZSMZVEWLU-UHFFFAOYSA-N
XLogP2.02
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
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CID 6488633
6-Amino-5-benzylamino-1-(2-methoxy-ethyl)-1H-pyrimidine-2,4-dione
CID 2429003
3-(Benzylamino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 454349
N-[3-methyl-1-(morpholin-4-yl)-1-oxobut-2-en-2-yl]benzamide
CID 2249574
methyl 2-[(1-benzoyl-5-methyl-2H-pyrrole-5-carbonyl)amino]acetate
CID 5459692
N-[(1Z)-3-(morpholin-4-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 5758818
Methyl 2-oxo-2-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]amino]acetate
CID 10412920
N-benzyl-1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 71660104
N-benzyl-2-(2,6-dimethyl-4-morpholinyl)acetamide
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2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylethyl)acetamide
CID 6469831

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate (CID 45273395) is ethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate is CCOC(=O)Cn1cccc(NCc2ccccc2)c1=O.
What is the InChIKey of ethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate?
The InChIKey is MRRLMZSMZVEWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-21-15(19)12-18-10-6-9-14(16(18)20)17-11-13-7-4-3-5-8-13/h3-10,17H,2,11-12H2,1H3.
What are the key properties of ethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate?
ethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate has a molecular weight of 286.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 45273395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).