propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate

C17H20N2O2 — CID 104821830

IUPACpropyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate
SMILESCCCOC(=O)c1ccc(NCc2ccc(C)nc2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-10-21-17(20)15-6-8-16(9-7-15)19-12-14-5-4-13(2)18-11-14/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyBKPLGTMWEVLYCL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.57
Rot. Bonds6

About propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate

propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate (PubChem CID 104821830) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate
PubChem CID104821830
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namepropyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate
SMILESCCCOC(=O)c1ccc(NCc2ccc(C)nc2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-10-21-17(20)15-6-8-16(9-7-15)19-12-14-5-4-13(2)18-11-14/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyBKPLGTMWEVLYCL-UHFFFAOYSA-N
XLogP3.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 51331436
propyl 4-(pyridin-4-ylmethylamino)benzoate
CID 43217486
propyl 4-[(3-methylphenyl)methylamino]benzoate
CID 43217485
propyl 4-[(1-ethylpyrazol-4-yl)methylamino]benzoate
CID 103569201
N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749173
propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate
CID 62760898
4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749224
propyl 4-[(3-methylimidazol-4-yl)methylamino]benzoate
CID 66119114
propyl 4-[(3-ethylimidazol-4-yl)methylamino]benzoate
CID 66134391
propyl 4-[(3-bromofuran-2-yl)methylamino]benzoate
CID 106885105
4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine
CID 106750778
propyl 4-[(3-cyanophenyl)methylamino]benzoate
CID 78822819

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate?
The IUPAC name of propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate (CID 104821830) is propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate.
What is the SMILES notation for propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate?
The canonical SMILES for propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate is CCCOC(=O)c1ccc(NCc2ccc(C)nc2)cc1.
What is the InChIKey of propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate?
The InChIKey is BKPLGTMWEVLYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-10-21-17(20)15-6-8-16(9-7-15)19-12-14-5-4-13(2)18-11-14/h4-9,11,19H,3,10,12H2,1-2H3.
What are the key properties of propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate?
propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate has a molecular weight of 284.36 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate is sourced from PubChem (CID 104821830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).