6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine

C11H14N4 — CID 134502452

IUPAC6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine
SMILESC=N/C=C\C(=N/C)C1=CC(=C)NC=C1N
InChIInChI=1S/C11H14N4/c1-8-6-9(10(12)7-15-8)11(14-3)4-5-13-2/h4-7,15H,1-2,12H2,3H3/b5-4-,14-11+
InChIKeyWTQYMTJDTKKJNO-UZWKOAOVSA-N
MW202.26 g/mol
LogP1.11
Rot. Bonds3

About 6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine

6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine (PubChem CID 134502452) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine.

Molecular Properties

Compound Name6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine
PubChem CID134502452
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine
SMILESC=N/C=C\C(=N/C)C1=CC(=C)NC=C1N
InChIInChI=1S/C11H14N4/c1-8-6-9(10(12)7-15-8)11(14-3)4-5-13-2/h4-7,15H,1-2,12H2,3H3/b5-4-,14-11+
InChIKeyWTQYMTJDTKKJNO-UZWKOAOVSA-N
XLogP1.11
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine?
The IUPAC name of 6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine (CID 134502452) is 6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine.
What is the SMILES notation for 6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine?
The canonical SMILES for 6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine is C=N/C=C\C(=N/C)C1=CC(=C)NC=C1N.
What is the InChIKey of 6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine?
The InChIKey is WTQYMTJDTKKJNO-UZWKOAOVSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-6-9(10(12)7-15-8)11(14-3)4-5-13-2/h4-7,15H,1-2,12H2,3H3/b5-4-,14-11+.
What are the key properties of 6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine?
6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine has a molecular weight of 202.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-4-[N-methyl-C-[(Z)-2-(methylideneamino)ethenyl]carbonimidoyl]-1H-pyridin-3-amine is sourced from PubChem (CID 134502452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).