1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine

C17H17N5 — CID 76843609

IUPAC1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine
SMILESCC(=Nn1cccc1)c1cccc(C(C)=Nn2cccc2)n1
InChIInChI=1S/C17H17N5/c1-14(19-21-10-3-4-11-21)16-8-7-9-17(18-16)15(2)20-22-12-5-6-13-22/h3-13H,1-2H3
InChIKeyYDCGCOXAFWXUIY-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.23
Rot. Bonds4

About 1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine

1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine (PubChem CID 76843609) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine.

Molecular Properties

Compound Name1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine
PubChem CID76843609
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine
SMILESCC(=Nn1cccc1)c1cccc(C(C)=Nn2cccc2)n1
InChIInChI=1S/C17H17N5/c1-14(19-21-10-3-4-11-21)16-8-7-9-17(18-16)15(2)20-22-12-5-6-13-22/h3-13H,1-2H3
InChIKeyYDCGCOXAFWXUIY-UHFFFAOYSA-N
XLogP3.23
TPSA47.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine?
The IUPAC name of 1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine (CID 76843609) is 1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine.
What is the SMILES notation for 1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine?
The canonical SMILES for 1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine is CC(=Nn1cccc1)c1cccc(C(C)=Nn2cccc2)n1.
What is the InChIKey of 1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine?
The InChIKey is YDCGCOXAFWXUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-14(19-21-10-3-4-11-21)16-8-7-9-17(18-16)15(2)20-22-12-5-6-13-22/h3-13H,1-2H3.
What are the key properties of 1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine?
1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine has a molecular weight of 291.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine is sourced from PubChem (CID 76843609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).