N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide

C13H12N6 — CID 89216738

IUPACN'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide
SMILESC=N/C(=N\N=C(/N)c1ccncc1)c1ccncc1
InChIInChI=1S/C13H12N6/c1-15-13(11-4-8-17-9-5-11)19-18-12(14)10-2-6-16-7-3-10/h2-9H,1H2,(H2,14,18)/b19-13-
InChIKeyJRZDAPHYWKLYCT-UYRXBGFRSA-N
MW252.28 g/mol
LogP1.24
Rot. Bonds3

About N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide

N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide (PubChem CID 89216738) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide
PubChem CID89216738
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC NameN'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide
SMILESC=N/C(=N\N=C(/N)c1ccncc1)c1ccncc1
InChIInChI=1S/C13H12N6/c1-15-13(11-4-8-17-9-5-11)19-18-12(14)10-2-6-16-7-3-10/h2-9H,1H2,(H2,14,18)/b19-13-
InChIKeyJRZDAPHYWKLYCT-UYRXBGFRSA-N
XLogP1.24
TPSA88.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide?
The IUPAC name of N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide (CID 89216738) is N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide.
What is the SMILES notation for N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide?
The canonical SMILES for N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide is C=N/C(=N\N=C(/N)c1ccncc1)c1ccncc1.
What is the InChIKey of N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide?
The InChIKey is JRZDAPHYWKLYCT-UYRXBGFRSA-N. The full InChI is InChI=1S/C13H12N6/c1-15-13(11-4-8-17-9-5-11)19-18-12(14)10-2-6-16-7-3-10/h2-9H,1H2,(H2,14,18)/b19-13-.
What are the key properties of N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide?
N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide has a molecular weight of 252.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[(methylideneamino)-pyridin-4-ylmethylidene]amino]pyridine-4-carboximidamide is sourced from PubChem (CID 89216738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).