1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine

C12H14N4 — CID 72509478

IUPAC1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine
SMILESCn1ccccc1=NN=c1ccccn1C
InChIInChI=1S/C12H14N4/c1-15-9-5-3-7-11(15)13-14-12-8-4-6-10-16(12)2/h3-10H,1-2H3
InChIKeyNDYSKCMQDOZXNY-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.78
Rot. Bonds1

About 1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine

1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine (PubChem CID 72509478) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine.

Molecular Properties

Compound Name1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine
PubChem CID72509478
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine
SMILESCn1ccccc1=NN=c1ccccn1C
InChIInChI=1S/C12H14N4/c1-15-9-5-3-7-11(15)13-14-12-8-4-6-10-16(12)2/h3-10H,1-2H3
InChIKeyNDYSKCMQDOZXNY-UHFFFAOYSA-N
XLogP0.78
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine?
The IUPAC name of 1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine (CID 72509478) is 1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine.
What is the SMILES notation for 1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine?
The canonical SMILES for 1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine is Cn1ccccc1=NN=c1ccccn1C.
What is the InChIKey of 1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine?
The InChIKey is NDYSKCMQDOZXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-15-9-5-3-7-11(15)13-14-12-8-4-6-10-16(12)2/h3-10H,1-2H3.
What are the key properties of 1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine?
1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine has a molecular weight of 214.27 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methyl-2-pyridinylidene)amino]pyridin-2-imine is sourced from PubChem (CID 72509478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).