methyl 1-benzyl-6-iminopyridine-3-carboxylate

C14H14N2O2 — CID 23470923

IUPACmethyl 1-benzyl-6-iminopyridine-3-carboxylate
SMILES[H]/N=c1\ccc(C(=O)OC)cn1Cc1ccccc1
InChIInChI=1S/C14H14N2O2/c1-18-14(17)12-7-8-13(15)16(10-12)9-11-5-3-2-4-6-11/h2-8,10,15H,9H2,1H3/b15-13+
InChIKeyZYIDFKBNOXZEOK-FYWRMAATSA-N
MW242.28 g/mol
LogP1.80
Rot. Bonds3

About methyl 1-benzyl-6-iminopyridine-3-carboxylate

methyl 1-benzyl-6-iminopyridine-3-carboxylate (PubChem CID 23470923) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is methyl 1-benzyl-6-iminopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-6-iminopyridine-3-carboxylate
PubChem CID23470923
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namemethyl 1-benzyl-6-iminopyridine-3-carboxylate
SMILES[H]/N=c1\ccc(C(=O)OC)cn1Cc1ccccc1
InChIInChI=1S/C14H14N2O2/c1-18-14(17)12-7-8-13(15)16(10-12)9-11-5-3-2-4-6-11/h2-8,10,15H,9H2,1H3/b15-13+
InChIKeyZYIDFKBNOXZEOK-FYWRMAATSA-N
XLogP1.80
TPSA55.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-ethenyl-6-iminopyridine-3-carboxylate
CID 142237398
methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 30093772
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CID 177432167
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817
methyl 1-benzyl-4-methylimidazole-2-carboxylate
CID 11470254
methyl 4-[(3-methylindol-1-yl)methyl]benzoate
CID 43316679
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
methyl 2-(4-acetylphenyl)-1-benzylimidazole-4-carboxylate
CID 154708283
methyl 3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384667
methyl 3-amino-1-benzyl-4-cyanopyrrole-2-carboxylate
CID 23033066
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzoate
CID 5009939

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-6-iminopyridine-3-carboxylate?
The IUPAC name of methyl 1-benzyl-6-iminopyridine-3-carboxylate (CID 23470923) is methyl 1-benzyl-6-iminopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-benzyl-6-iminopyridine-3-carboxylate?
The canonical SMILES for methyl 1-benzyl-6-iminopyridine-3-carboxylate is [H]/N=c1\ccc(C(=O)OC)cn1Cc1ccccc1.
What is the InChIKey of methyl 1-benzyl-6-iminopyridine-3-carboxylate?
The InChIKey is ZYIDFKBNOXZEOK-FYWRMAATSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-14(17)12-7-8-13(15)16(10-12)9-11-5-3-2-4-6-11/h2-8,10,15H,9H2,1H3/b15-13+.
What are the key properties of methyl 1-benzyl-6-iminopyridine-3-carboxylate?
methyl 1-benzyl-6-iminopyridine-3-carboxylate has a molecular weight of 242.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-6-iminopyridine-3-carboxylate is sourced from PubChem (CID 23470923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).