methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate

C15H15ClN2O2 — CID 104821857

IUPACmethyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NCc1ccc(C)nc1
InChIInChI=1S/C15H15ClN2O2/c1-10-3-4-11(8-17-10)9-18-14-7-12(16)5-6-13(14)15(19)20-2/h3-8,18H,9H2,1-2H3
InChIKeyMPNVBNMEHHKQPI-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.44
Rot. Bonds4

About methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate

methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate (PubChem CID 104821857) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate
PubChem CID104821857
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Namemethyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NCc1ccc(C)nc1
InChIInChI=1S/C15H15ClN2O2/c1-10-3-4-11(8-17-10)9-18-14-7-12(16)5-6-13(14)15(19)20-2/h3-8,18H,9H2,1-2H3
InChIKeyMPNVBNMEHHKQPI-UHFFFAOYSA-N
XLogP3.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]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

5-chloro-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756549
methyl 5-amino-2-[(6-methyl-3-pyridinyl)methylamino]benzoate
CID 62989273
methyl 4-chloro-2-[(5-chloro-1,3-thiazol-2-yl)methylamino]benzoate
CID 107123927
methyl 4-chloro-2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841641
methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43230186
methyl 4-chloro-2-(1H-pyrazol-5-ylmethylamino)benzoate
CID 43680666
5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile
CID 62995378
methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate
CID 60780204
methyl 4-chloro-2-[(1-propylpyrrol-3-yl)methylamino]benzoate
CID 66400303
2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821841
methyl 4-chloro-2-(ethylsulfonylmethylamino)benzoate
CID 57198531
4-chloro-2-[(4-ethylphenyl)methylamino]benzoic acid
CID 106900803

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate?
The IUPAC name of methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate (CID 104821857) is methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate is COC(=O)c1ccc(Cl)cc1NCc1ccc(C)nc1.
What is the InChIKey of methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate?
The InChIKey is MPNVBNMEHHKQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-3-4-11(8-17-10)9-18-14-7-12(16)5-6-13(14)15(19)20-2/h3-8,18H,9H2,1-2H3.
What are the key properties of methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate?
methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate has a molecular weight of 290.75 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate is sourced from PubChem (CID 104821857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).