methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate

C19H23N3O3 — CID 109161262

IUPACmethyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)NCCC(C)C)cn2)cc1
InChIInChI=1S/C19H23N3O3/c1-13(2)10-11-20-18(23)15-6-9-17(21-12-15)22-16-7-4-14(5-8-16)19(24)25-3/h4-9,12-13H,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeySESOGGZIRLIJIK-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.39
Rot. Bonds7

About methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate

methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate (PubChem CID 109161262) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate
PubChem CID109161262
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)NCCC(C)C)cn2)cc1
InChIInChI=1S/C19H23N3O3/c1-13(2)10-11-20-18(23)15-6-9-17(21-12-15)22-16-7-4-14(5-8-16)19(24)25-3/h4-9,12-13H,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeySESOGGZIRLIJIK-UHFFFAOYSA-N
XLogP3.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-(3-methylbutylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109287835
methyl 4-[[5-(3-phenylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109160864
N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109153038
6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153070
methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164188
methyl 4-[[2-(3-methylbutylamino)pyrimidin-4-yl]amino]benzoate
CID 112900299
methyl 3-[[5-(3-methoxypropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109153389
methyl 4-[[6-[4-(dimethylamino)anilino]pyridine-3-carbonyl]amino]benzoate
CID 109164647
methyl 4-[[6-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162644
N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109151937
methyl 4-[[5-[(4-cyanophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164642
methyl 4-[[6-(3,5-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162688

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate (CID 109161262) is methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate is COC(=O)c1ccc(Nc2ccc(C(=O)NCCC(C)C)cn2)cc1.
What is the InChIKey of methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate?
The InChIKey is SESOGGZIRLIJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)10-11-20-18(23)15-6-9-17(21-12-15)22-16-7-4-14(5-8-16)19(24)25-3/h4-9,12-13H,10-11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate?
methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109161262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).