ethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate

C17H20N4O3 — CID 121231453

IUPACethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1cccc(-c2ccncc2N)c1
InChIInChI=1S/C17H20N4O3/c1-2-24-16(22)11-21-17(23)20-9-12-4-3-5-13(8-12)14-6-7-19-10-15(14)18/h3-8,10H,2,9,11,18H2,1H3,(H2,20,21,23)
InChIKeyBMVIHQIQLWPWDF-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.69
Rot. Bonds6

About ethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate

ethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate (PubChem CID 121231453) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate
PubChem CID121231453
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Nameethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1cccc(-c2ccncc2N)c1
InChIInChI=1S/C17H20N4O3/c1-2-24-16(22)11-21-17(23)20-9-12-4-3-5-13(8-12)14-6-7-19-10-15(14)18/h3-8,10H,2,9,11,18H2,1H3,(H2,20,21,23)
InChIKeyBMVIHQIQLWPWDF-UHFFFAOYSA-N
XLogP1.69
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,3-Diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylurea
CID 16735430
1-(4-(Morpholin-4-yl)butyl)-3-(4-pyridin-3-ylphenyl)urea
CID 46830772
N-(4-methylphenyl)-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea
CID 3241009
2-({Benzyl[(pyridin-3-YL)methyl]carbamothioyl}amino)-N-(2-methoxyethyl)acetamide
CID 5152118
N-(2-Methoxyethyl)-N'-[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017352
N-(3,5-Dimethylphenyl)-N'-[2-(morpholin-4-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017533
(3R,5S)-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-pyridin-3-yl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 134152994
1-[2-(3-Prop-1-en-2-ylphenyl)propan-2-yl]-3-(pyridin-4-ylmethyl)urea
CID 757316
1-[1-(3-Isopropenyl-phenyl)-1-methyl-ethyl]-3-pyridin-3-yl-urea
CID 787769
N-[4-[4-[(2-morpholin-4-ylacetyl)amino]cyclohexen-1-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510608
Ethyl 2-(4-(4-(3-fluoro-5-(pyridin-4-yl)phenethyl)phenyl)piperazine-1-carboxamido)acetate
CID 122439259
(E)-ethyl 2-(4-(4-(3-fluoro-5-(pyridin-4-yl)styryl)phenyl)piperazine-1-carboxamido)acetate
CID 122451514

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate (CID 121231453) is ethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCc1cccc(-c2ccncc2N)c1.
What is the InChIKey of ethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate?
The InChIKey is BMVIHQIQLWPWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-2-24-16(22)11-21-17(23)20-9-12-4-3-5-13(8-12)14-6-7-19-10-15(14)18/h3-8,10H,2,9,11,18H2,1H3,(H2,20,21,23).
What are the key properties of ethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate?
ethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate has a molecular weight of 328.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(3-amino-4-pyridinyl)phenyl]methylcarbamoylamino]acetate is sourced from PubChem (CID 121231453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).