methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate

C21H20N2O3 — CID 18791405

IUPACmethyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccccc2OCc2ccccc2)nc1
InChIInChI=1S/C21H20N2O3/c1-25-21(24)18-11-12-20(23-14-18)22-13-17-9-5-6-10-19(17)26-15-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,22,23)
InChIKeyDVKRBJLQQGWILT-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.06
Rot. Bonds7

About methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate

methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate (PubChem CID 18791405) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate
PubChem CID18791405
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Namemethyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccccc2OCc2ccccc2)nc1
InChIInChI=1S/C21H20N2O3/c1-25-21(24)18-11-12-20(23-14-18)22-13-17-9-5-6-10-19(17)26-15-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,22,23)
InChIKeyDVKRBJLQQGWILT-UHFFFAOYSA-N
XLogP4.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-methoxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956159
6-(benzylamino)pyridine-3-carboxylic acid;methyl 6-(benzylamino)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate
CID 159277489
methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate
CID 143566090
methyl 3-hydroxy-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate
CID 18973865
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109151240
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
CID 146669717
4-[[2-(anilinomethyl)phenoxy]methyl]benzoic acid
CID 126125704
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
6-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156428
N-[4-(dimethylamino)phenyl]-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157116

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate (CID 18791405) is methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate is COC(=O)c1ccc(NCc2ccccc2OCc2ccccc2)nc1.
What is the InChIKey of methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate?
The InChIKey is DVKRBJLQQGWILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-21(24)18-11-12-20(23-14-18)22-13-17-9-5-6-10-19(17)26-15-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,22,23).
What are the key properties of methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate?
methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-phenylmethoxyphenyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 18791405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).