methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate

C19H23N3O3 — CID 109161569

IUPACmethyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCCCCN(C)C(=O)c1ccc(Nc2ccccc2C(=O)OC)nc1
InChIInChI=1S/C19H23N3O3/c1-4-5-12-22(2)18(23)14-10-11-17(20-13-14)21-16-9-7-6-8-15(16)19(24)25-3/h6-11,13H,4-5,12H2,1-3H3,(H,20,21)
InChIKeyFEWMIBGHFSVVQF-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.48
Rot. Bonds7

About methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate

methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate (PubChem CID 109161569) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
PubChem CID109161569
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCCCCN(C)C(=O)c1ccc(Nc2ccccc2C(=O)OC)nc1
InChIInChI=1S/C19H23N3O3/c1-4-5-12-22(2)18(23)14-10-11-17(20-13-14)21-16-9-7-6-8-15(16)19(24)25-3/h6-11,13H,4-5,12H2,1-3H3,(H,20,21)
InChIKeyFEWMIBGHFSVVQF-UHFFFAOYSA-N
XLogP3.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide
CID 109161592
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109161559
methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109195986
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109153940
methyl 2-[[6-[butyl(methyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112847085
N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 109161578
methyl 2-[[butyl(methyl)carbamoyl]amino]benzoate
CID 3539117
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109158752
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109263930
ethyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109153975
N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
CID 109154268
N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 109156786

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate (CID 109161569) is methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate is CCCCN(C)C(=O)c1ccc(Nc2ccccc2C(=O)OC)nc1.
What is the InChIKey of methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The InChIKey is FEWMIBGHFSVVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-5-12-22(2)18(23)14-10-11-17(20-13-14)21-16-9-7-6-8-15(16)19(24)25-3/h6-11,13H,4-5,12H2,1-3H3,(H,20,21).
What are the key properties of methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate?
methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109161569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).