6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide

C16H18N4 — CID 64596150

IUPAC6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N2CCCc3ccccc3C2)n1
InChIInChI=1S/C16H18N4/c17-16(18)14-8-3-9-15(19-14)20-10-4-7-12-5-1-2-6-13(12)11-20/h1-3,5-6,8-9H,4,7,10-11H2,(H3,17,18)
InChIKeyHZKLCAGQPLYANV-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.32
Rot. Bonds2

About 6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide

6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide (PubChem CID 64596150) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide
PubChem CID64596150
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N2CCCc3ccccc3C2)n1
InChIInChI=1S/C16H18N4/c17-16(18)14-8-3-9-15(19-14)20-10-4-7-12-5-1-2-6-13(12)11-20/h1-3,5-6,8-9H,4,7,10-11H2,(H3,17,18)
InChIKeyHZKLCAGQPLYANV-UHFFFAOYSA-N
XLogP2.32
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide?
The IUPAC name of 6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide (CID 64596150) is 6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide?
The canonical SMILES for 6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(N2CCCc3ccccc3C2)n1.
What is the InChIKey of 6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide?
The InChIKey is HZKLCAGQPLYANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c17-16(18)14-8-3-9-15(19-14)20-10-4-7-12-5-1-2-6-13(12)11-20/h1-3,5-6,8-9H,4,7,10-11H2,(H3,17,18).
What are the key properties of 6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide?
6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide has a molecular weight of 266.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 64596150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).