(2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide

C13H13N3 — CID 137209276

IUPAC(2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide
SMILES[H]/N=C(\N)C1=CC=CN/C1=c1\ccccc1=C
InChIInChI=1S/C13H13N3/c1-9-5-2-3-6-10(9)12-11(13(14)15)7-4-8-16-12/h2-8,16H,1H2,(H3,14,15)/b12-10+
InChIKeyUQERPGLPAKUWTB-ZRDIBKRKSA-N
MW211.27 g/mol
LogP0.18
Rot. Bonds1

About (2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide

(2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide (PubChem CID 137209276) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is (2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name(2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide
PubChem CID137209276
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name(2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide
SMILES[H]/N=C(\N)C1=CC=CN/C1=c1\ccccc1=C
InChIInChI=1S/C13H13N3/c1-9-5-2-3-6-10(9)12-11(13(14)15)7-4-8-16-12/h2-8,16H,1H2,(H3,14,15)/b12-10+
InChIKeyUQERPGLPAKUWTB-ZRDIBKRKSA-N
XLogP0.18
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide?
The IUPAC name of (2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide (CID 137209276) is (2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide.
What is the SMILES notation for (2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide?
The canonical SMILES for (2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide is [H]/N=C(\N)C1=CC=CN/C1=c1\ccccc1=C.
What is the InChIKey of (2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide?
The InChIKey is UQERPGLPAKUWTB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H13N3/c1-9-5-2-3-6-10(9)12-11(13(14)15)7-4-8-16-12/h2-8,16H,1H2,(H3,14,15)/b12-10+.
What are the key properties of (2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide?
(2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide has a molecular weight of 211.27 g/mol, XLogP of 0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137209276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).