ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate

C19H24N4O3 — CID 109207240

IUPACethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccnc(C(=O)NCCN(C)C)c2)cc1
InChIInChI=1S/C19H24N4O3/c1-4-26-19(25)14-5-7-15(8-6-14)22-16-9-10-20-17(13-16)18(24)21-11-12-23(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyZIXIFLXWHZNBSC-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.29
Rot. Bonds8

About ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate

ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate (PubChem CID 109207240) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
PubChem CID109207240
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nameethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccnc(C(=O)NCCN(C)C)c2)cc1
InChIInChI=1S/C19H24N4O3/c1-4-26-19(25)14-5-7-15(8-6-14)22-16-9-10-20-17(13-16)18(24)21-11-12-23(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyZIXIFLXWHZNBSC-UHFFFAOYSA-N
XLogP2.29
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-(3-methylbutylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109217360
ethyl 4-[[6-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109185434
ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate
CID 109277253
ethyl 4-[[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
CID 109205527
ethyl 4-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222573
4-(4-bromoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207821
methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
CID 109207218
4-(tert-butylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109207144
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109207209
ethyl 4-[[6-[3-(dimethylamino)propylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109366834
N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109207165
ethyl 4-[[4-(2,6-difluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109222565

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate (CID 109207240) is ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate is CCOC(=O)c1ccc(Nc2ccnc(C(=O)NCCN(C)C)c2)cc1.
What is the InChIKey of ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate?
The InChIKey is ZIXIFLXWHZNBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-26-19(25)14-5-7-15(8-6-14)22-16-9-10-20-17(13-16)18(24)21-11-12-23(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,20,22)(H,21,24).
What are the key properties of ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate?
ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate has a molecular weight of 356.43 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 109207240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).