methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate

C18H22N4O3 — CID 109153940

IUPACmethyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)NCCN(C)C)cn1
InChIInChI=1S/C18H22N4O3/c1-22(2)11-10-19-17(23)13-8-9-16(20-12-13)21-15-7-5-4-6-14(15)18(24)25-3/h4-9,12H,10-11H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyKYOIFORPXVJDBE-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.90
Rot. Bonds7

About methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate

methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate (PubChem CID 109153940) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
PubChem CID109153940
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namemethyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(C(=O)NCCN(C)C)cn1
InChIInChI=1S/C18H22N4O3/c1-22(2)11-10-19-17(23)13-8-9-16(20-12-13)21-15-7-5-4-6-14(15)18(24)25-3/h4-9,12H,10-11H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyKYOIFORPXVJDBE-UHFFFAOYSA-N
XLogP1.90
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109153975
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109229218
methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109161569
methyl 2-[[5-[(2-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109157201
N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide
CID 109154445
methyl 2-[[6-[2-(dimethylamino)ethylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109366288
methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163904
methyl 2-[[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]amino]benzoate
CID 112887223
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109277408
ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109151943
6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153921

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate (CID 109153940) is methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate is COC(=O)c1ccccc1Nc1ccc(C(=O)NCCN(C)C)cn1.
What is the InChIKey of methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate?
The InChIKey is KYOIFORPXVJDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-22(2)11-10-19-17(23)13-8-9-16(20-12-13)21-15-7-5-4-6-14(15)18(24)25-3/h4-9,12H,10-11H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate?
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate has a molecular weight of 342.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109153940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).