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

C15H16N2O2 — CID 83316546

IUPACmethyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNc2ncccc2C)cc1
InChIInChI=1S/C15H16N2O2/c1-11-4-3-9-16-14(11)17-10-12-5-7-13(8-6-12)15(18)19-2/h3-9H,10H2,1-2H3,(H,16,17)
InChIKeyUKAMKNAHARAUEQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.79
Rot. Bonds4

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

methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate (PubChem CID 83316546) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate
PubChem CID83316546
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namemethyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNc2ncccc2C)cc1
InChIInChI=1S/C15H16N2O2/c1-11-4-3-9-16-14(11)17-10-12-5-7-13(8-6-12)15(18)19-2/h3-9H,10H2,1-2H3,(H,16,17)
InChIKeyUKAMKNAHARAUEQ-UHFFFAOYSA-N
XLogP2.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[(2-methyl-3-pyridinyl)amino]methyl]benzoate
CID 79041701
N-[(4-ethylphenyl)methyl]-3-methylpyridin-2-amine
CID 82679621
N-[(4-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704947
methyl 4-[4-[[[3-(butanoylamino)-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 10024116
4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 60704932
methyl 4-[[(3-bromopyridine-2-carbonyl)amino]methyl]benzoate
CID 107518096
methyl 4-[[(5-cyano-2-methylpyrimidin-4-yl)amino]methyl]benzoate
CID 71173554
3-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine
CID 66973402
2-[(3-methyl-2-pyridinyl)amino]acetic acid
CID 83826873
1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 47235934
2-methyl-1-[(3-methyl-2-pyridinyl)amino]propan-2-ol
CID 65109200
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate (CID 83316546) is methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate is COC(=O)c1ccc(CNc2ncccc2C)cc1.
What is the InChIKey of methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate?
The InChIKey is UKAMKNAHARAUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-4-3-9-16-14(11)17-10-12-5-7-13(8-6-12)15(18)19-2/h3-9H,10H2,1-2H3,(H,16,17).
What are the key properties of methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate?
methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate has a molecular weight of 256.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate is sourced from PubChem (CID 83316546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).