3-methyl-4H-pyridin-4-id-2-amine;samarium

C6H7N2Sm- — CID 164540383

IUPAC3-methyl-4H-pyridin-4-id-2-amine;samarium
SMILESCc1[c-]ccnc1N.[Sm]
InChIInChI=1S/C6H7N2.Sm/c1-5-3-2-4-8-6(5)7;/h2,4H,1H3,(H2,7,8);/q-1;
InChIKeyZATOVUZASWCQGX-UHFFFAOYSA-N
MW257.50 g/mol
LogP0.77
Rot. Bonds

About 3-methyl-4H-pyridin-4-id-2-amine;samarium

3-methyl-4H-pyridin-4-id-2-amine;samarium (PubChem CID 164540383) has the molecular formula C6H7N2Sm- and a molecular weight of 257.50 g/mol. Its IUPAC name is 3-methyl-4H-pyridin-4-id-2-amine;samarium.

Molecular Properties

Compound Name3-methyl-4H-pyridin-4-id-2-amine;samarium
PubChem CID164540383
Molecular FormulaC6H7N2Sm-
Molecular Weight257.50 g/mol
Exact Mass258.98
IUPAC Name3-methyl-4H-pyridin-4-id-2-amine;samarium
SMILESCc1[c-]ccnc1N.[Sm]
InChIInChI=1S/C6H7N2.Sm/c1-5-3-2-4-8-6(5)7;/h2,4H,1H3,(H2,7,8);/q-1;
InChIKeyZATOVUZASWCQGX-UHFFFAOYSA-N
XLogP0.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.50
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-4H-pyridin-4-id-2-amine;samarium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-pyridin-4-id-2-amine;samarium?
The IUPAC name of 3-methyl-4H-pyridin-4-id-2-amine;samarium (CID 164540383) is 3-methyl-4H-pyridin-4-id-2-amine;samarium.
What is the SMILES notation for 3-methyl-4H-pyridin-4-id-2-amine;samarium?
The canonical SMILES for 3-methyl-4H-pyridin-4-id-2-amine;samarium is Cc1[c-]ccnc1N.[Sm].
What is the InChIKey of 3-methyl-4H-pyridin-4-id-2-amine;samarium?
The InChIKey is ZATOVUZASWCQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2.Sm/c1-5-3-2-4-8-6(5)7;/h2,4H,1H3,(H2,7,8);/q-1;.
What are the key properties of 3-methyl-4H-pyridin-4-id-2-amine;samarium?
3-methyl-4H-pyridin-4-id-2-amine;samarium has a molecular weight of 257.50 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-pyridin-4-id-2-amine;samarium is sourced from PubChem (CID 164540383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).