methyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten

C14H13N2O2W- — CID 58763662

IUPACmethyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten
SMILESCOC(=O)c1[c-]cccc1NCc1ccncc1.[W]
InChIInChI=1S/C14H13N2O2.W/c1-18-14(17)12-4-2-3-5-13(12)16-10-11-6-8-15-9-7-11;/h2-3,5-9,16H,10H2,1H3;/q-1;
InChIKeySNGRZRCUFACARN-UHFFFAOYSA-N
MW425.11 g/mol
LogP2.28
Rot. Bonds4

About methyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten

methyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten (PubChem CID 58763662) has the molecular formula C14H13N2O2W- and a molecular weight of 425.11 g/mol. Its IUPAC name is methyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten.

Molecular Properties

Compound Namemethyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten
PubChem CID58763662
Molecular FormulaC14H13N2O2W-
Molecular Weight425.11 g/mol
Exact Mass425.05
IUPAC Namemethyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten
SMILESCOC(=O)c1[c-]cccc1NCc1ccncc1.[W]
InChIInChI=1S/C14H13N2O2.W/c1-18-14(17)12-4-2-3-5-13(12)16-10-11-6-8-15-9-7-11;/h2-3,5-9,16H,10H2,1H3;/q-1;
InChIKeySNGRZRCUFACARN-UHFFFAOYSA-N
XLogP2.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.11
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten?
The IUPAC name of methyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten (CID 58763662) is methyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten.
What is the SMILES notation for methyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten?
The canonical SMILES for methyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten is COC(=O)c1[c-]cccc1NCc1ccncc1.[W].
What is the InChIKey of methyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten?
The InChIKey is SNGRZRCUFACARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2O2.W/c1-18-14(17)12-4-2-3-5-13(12)16-10-11-6-8-15-9-7-11;/h2-3,5-9,16H,10H2,1H3;/q-1;.
What are the key properties of methyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten?
methyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten has a molecular weight of 425.11 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridin-4-ylmethylamino)benzene-6-ide-1-carboxylate;tungsten is sourced from PubChem (CID 58763662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).