methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate

C19H23N3O3 — CID 109175597

IUPACmethyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate
SMILESCCCCN(C)c1cc(C(=O)Nc2cccc(C(=O)OC)c2)ccn1
InChIInChI=1S/C19H23N3O3/c1-4-5-11-22(2)17-13-14(9-10-20-17)18(23)21-16-8-6-7-15(12-16)19(24)25-3/h6-10,12-13H,4-5,11H2,1-3H3,(H,21,23)
InChIKeyIXWLHGJMRRNGPA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.36
Rot. Bonds7

About methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate

methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate (PubChem CID 109175597) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate
PubChem CID109175597
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate
SMILESCCCCN(C)c1cc(C(=O)Nc2cccc(C(=O)OC)c2)ccn1
InChIInChI=1S/C19H23N3O3/c1-4-5-11-22(2)17-13-14(9-10-20-17)18(23)21-16-8-6-7-15(12-16)19(24)25-3/h6-10,12-13H,4-5,11H2,1-3H3,(H,21,23)
InChIKeyIXWLHGJMRRNGPA-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[butyl(methyl)amino]pyridine-4-carboxamide
CID 109175595
methyl 3-[[4-[butyl(methyl)amino]pyrimidin-2-yl]amino]benzoate
CID 112900626
methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090593
methyl 3-[[2-[2-(dimethylamino)ethylamino]pyridine-4-carbonyl]amino]benzoate
CID 109167870
methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109077959
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
methyl 3-[[4-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109175534
2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109175621
methyl 3-[[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carbonyl]amino]benzoate
CID 109351611
methyl 3-[[2-[methyl(phenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109091517
methyl 3-[[2-(pentylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109263813
butyl 3-(pyridine-4-carbonylamino)benzoate
CID 19171649

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate (CID 109175597) is methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate is CCCCN(C)c1cc(C(=O)Nc2cccc(C(=O)OC)c2)ccn1.
What is the InChIKey of methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate?
The InChIKey is IXWLHGJMRRNGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-5-11-22(2)17-13-14(9-10-20-17)18(23)21-16-8-6-7-15(12-16)19(24)25-3/h6-10,12-13H,4-5,11H2,1-3H3,(H,21,23).
What are the key properties of methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate?
methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109175597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).