6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide

C20H21N5 — CID 89419452

IUPAC6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(CCCc2cccc(-c3cccc(C)n3)n2)n1
InChIInChI=1S/C20H21N5/c1-14-6-2-11-17(23-14)18-12-4-9-15(24-18)7-3-8-16-10-5-13-19(25-16)20(21)22/h2,4-6,9-13H,3,7-8H2,1H3,(H3,21,22)
InChIKeyDOHWJUNOCSEQLS-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.31
Rot. Bonds6

About 6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide

6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide (PubChem CID 89419452) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide
PubChem CID89419452
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(CCCc2cccc(-c3cccc(C)n3)n2)n1
InChIInChI=1S/C20H21N5/c1-14-6-2-11-17(23-14)18-12-4-9-15(24-18)7-3-8-16-10-5-13-19(25-16)20(21)22/h2,4-6,9-13H,3,7-8H2,1H3,(H3,21,22)
InChIKeyDOHWJUNOCSEQLS-UHFFFAOYSA-N
XLogP3.31
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide?
The IUPAC name of 6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide (CID 89419452) is 6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide.
What is the SMILES notation for 6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide?
The canonical SMILES for 6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(CCCc2cccc(-c3cccc(C)n3)n2)n1.
What is the InChIKey of 6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide?
The InChIKey is DOHWJUNOCSEQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-14-6-2-11-17(23-14)18-12-4-9-15(24-18)7-3-8-16-10-5-13-19(25-16)20(21)22/h2,4-6,9-13H,3,7-8H2,1H3,(H3,21,22).
What are the key properties of 6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide?
6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide has a molecular weight of 331.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]pyridine-2-carboximidamide is sourced from PubChem (CID 89419452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).