methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate

C18H22N4O3 — CID 109229218

IUPACmethyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cncc(C(=O)NCCN(C)C)c1
InChIInChI=1S/C18H22N4O3/c1-22(2)9-8-20-17(23)13-10-14(12-19-11-13)21-16-7-5-4-6-15(16)18(24)25-3/h4-7,10-12,21H,8-9H2,1-3H3,(H,20,23)
InChIKeyYWPCENXOFSUDFU-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.90
Rot. Bonds7

About methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate

methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate (PubChem CID 109229218) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
PubChem CID109229218
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namemethyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cncc(C(=O)NCCN(C)C)c1
InChIInChI=1S/C18H22N4O3/c1-22(2)9-8-20-17(23)13-10-14(12-19-11-13)21-16-7-5-4-6-15(16)18(24)25-3/h4-7,10-12,21H,8-9H2,1-3H3,(H,20,23)
InChIKeyYWPCENXOFSUDFU-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

methyl 2-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240079
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109153940
5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229190
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyridine-3-carbonyl]amino]benzoate
CID 109104143
N-[2-(dimethylamino)ethyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227823
5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229244
methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242696
methyl 2-[[6-[2-(dimethylamino)ethylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109366288
methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate
CID 109223106
N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109229099
5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229253
ethyl 2-[[5-[3-(dimethylamino)propylcarbamoyl]pyridine-3-carbonyl]amino]benzoate
CID 109104386

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate (CID 109229218) is methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate is COC(=O)c1ccccc1Nc1cncc(C(=O)NCCN(C)C)c1.
What is the InChIKey of methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate?
The InChIKey is YWPCENXOFSUDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-22(2)9-8-20-17(23)13-10-14(12-19-11-13)21-16-7-5-4-6-15(16)18(24)25-3/h4-7,10-12,21H,8-9H2,1-3H3,(H,20,23).
What are the key properties of methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate?
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-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]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109229218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).