(4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine

C10H13N3 — CID 166833032

IUPAC(4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine
SMILESC=N/C=c1/c(NC)cnc/c1=C/C
InChIInChI=1S/C10H13N3/c1-4-8-5-13-7-10(12-3)9(8)6-11-2/h4-7,12H,2H2,1,3H3/b8-4-,9-6+
InChIKeyIVZWYGYJXVZROZ-NDFHIPMUSA-N
MW175.23 g/mol
LogP0.36
Rot. Bonds2

About (4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine

(4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine (PubChem CID 166833032) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine
PubChem CID166833032
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name(4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine
SMILESC=N/C=c1/c(NC)cnc/c1=C/C
InChIInChI=1S/C10H13N3/c1-4-8-5-13-7-10(12-3)9(8)6-11-2/h4-7,12H,2H2,1,3H3/b8-4-,9-6+
InChIKeyIVZWYGYJXVZROZ-NDFHIPMUSA-N
XLogP0.36
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine?
The IUPAC name of (4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine (CID 166833032) is (4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine.
What is the SMILES notation for (4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine?
The canonical SMILES for (4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine is C=N/C=c1/c(NC)cnc/c1=C/C.
What is the InChIKey of (4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine?
The InChIKey is IVZWYGYJXVZROZ-NDFHIPMUSA-N. The full InChI is InChI=1S/C10H13N3/c1-4-8-5-13-7-10(12-3)9(8)6-11-2/h4-7,12H,2H2,1,3H3/b8-4-,9-6+.
What are the key properties of (4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine?
(4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine has a molecular weight of 175.23 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-N-methyl-4-[(methylideneamino)methylidene]pyridin-3-amine is sourced from PubChem (CID 166833032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).