methanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium

C8H12N2O — CID 21030020

IUPACmethanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium
SMILES[CH2-][NH2+]Cc1ccn(C)c(=O)c1
InChIInChI=1S/C8H12N2O/c1-9-6-7-3-4-10(2)8(11)5-7/h3-5H,1,6,9H2,2H3
InChIKeyORESRGPWDLMIJR-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.76
Rot. Bonds2

About methanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium

methanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium (PubChem CID 21030020) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is methanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium.

Molecular Properties

Compound Namemethanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium
PubChem CID21030020
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Namemethanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium
SMILES[CH2-][NH2+]Cc1ccn(C)c(=O)c1
InChIInChI=1S/C8H12N2O/c1-9-6-7-3-4-10(2)8(11)5-7/h3-5H,1,6,9H2,2H3
InChIKeyORESRGPWDLMIJR-UHFFFAOYSA-N
XLogP-0.76
TPSA38.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 methanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium?
The IUPAC name of methanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium (CID 21030020) is methanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium.
What is the SMILES notation for methanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium?
The canonical SMILES for methanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium is [CH2-][NH2+]Cc1ccn(C)c(=O)c1.
What is the InChIKey of methanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium?
The InChIKey is ORESRGPWDLMIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-9-6-7-3-4-10(2)8(11)5-7/h3-5H,1,6,9H2,2H3.
What are the key properties of methanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium?
methanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium has a molecular weight of 152.20 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[(1-methyl-2-oxo-4-pyridinyl)methyl]azanium is sourced from PubChem (CID 21030020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).