N-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine

C18H17N3O — CID 50857421

IUPACN-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine
SMILESCOc1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2)cn1
InChIInChI=1S/C18H17N3O/c1-14-10-15(13-21(14)17-6-4-3-5-7-17)11-19-16-8-9-18(22-2)20-12-16/h3-13H,1-2H3/b19-11+
InChIKeyIJEORWVSCCMLQE-YBFXNURJSA-N
MW291.35 g/mol
LogP3.94
Rot. Bonds4

About N-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine

N-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine (PubChem CID 50857421) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine
PubChem CID50857421
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine
SMILESCOc1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2)cn1
InChIInChI=1S/C18H17N3O/c1-14-10-15(13-21(14)17-6-4-3-5-7-17)11-19-16-8-9-18(22-2)20-12-16/h3-13H,1-2H3/b19-11+
InChIKeyIJEORWVSCCMLQE-YBFXNURJSA-N
XLogP3.94
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine (CID 50857421) is N-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine is COc1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine?
The InChIKey is IJEORWVSCCMLQE-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3O/c1-14-10-15(13-21(14)17-6-4-3-5-7-17)11-19-16-8-9-18(22-2)20-12-16/h3-13H,1-2H3/b19-11+.
What are the key properties of N-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine?
N-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine has a molecular weight of 291.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine is sourced from PubChem (CID 50857421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).