4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine

C14H16N4 — CID 134289638

IUPAC4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine
SMILES[H]/N=C(\C)c1cc(-c2cc(C)ccn2)ncc1NC
InChIInChI=1S/C14H16N4/c1-9-4-5-17-12(6-9)13-7-11(10(2)15)14(16-3)8-18-13/h4-8,15-16H,1-3H3/b15-10+
InChIKeyCOVWXBNYYMDPGD-XNTDXEJSSA-N
MW240.31 g/mol
LogP2.88
Rot. Bonds3

About 4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine

4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine (PubChem CID 134289638) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound Name4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine
PubChem CID134289638
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine
SMILES[H]/N=C(\C)c1cc(-c2cc(C)ccn2)ncc1NC
InChIInChI=1S/C14H16N4/c1-9-4-5-17-12(6-9)13-7-11(10(2)15)14(16-3)8-18-13/h4-8,15-16H,1-3H3/b15-10+
InChIKeyCOVWXBNYYMDPGD-XNTDXEJSSA-N
XLogP2.88
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.88
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 4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine?
The IUPAC name of 4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine (CID 134289638) is 4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine.
What is the SMILES notation for 4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine?
The canonical SMILES for 4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine is [H]/N=C(\C)c1cc(-c2cc(C)ccn2)ncc1NC.
What is the InChIKey of 4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine?
The InChIKey is COVWXBNYYMDPGD-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H16N4/c1-9-4-5-17-12(6-9)13-7-11(10(2)15)14(16-3)8-18-13/h4-8,15-16H,1-3H3/b15-10+.
What are the key properties of 4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine?
4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine has a molecular weight of 240.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoyl-N-methyl-6-(4-methyl-2-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 134289638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).