1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine

C18H17N3O2 — CID 955539

IUPAC1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine
SMILESCOc1ccc(-n2cccc2/C=N/c2ccc(OC)nc2)cc1
InChIInChI=1S/C18H17N3O2/c1-22-17-8-6-15(7-9-17)21-11-3-4-16(21)13-19-14-5-10-18(23-2)20-12-14/h3-13H,1-2H3/b19-13+
InChIKeyOCCHVZYNQYWOPR-CPNJWEJPSA-N
MW307.35 g/mol
LogP3.64
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine

1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine (PubChem CID 955539) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine
PubChem CID955539
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine
SMILESCOc1ccc(-n2cccc2/C=N/c2ccc(OC)nc2)cc1
InChIInChI=1S/C18H17N3O2/c1-22-17-8-6-15(7-9-17)21-11-3-4-16(21)13-19-14-5-10-18(23-2)20-12-14/h3-13H,1-2H3/b19-13+
InChIKeyOCCHVZYNQYWOPR-CPNJWEJPSA-N
XLogP3.64
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(6-methoxy-3-pyridinyl)iminomethyl]pyrrol-1-yl]phenol
CID 126028404
N-(6-methoxy-3-pyridinyl)-1-(5-methyl-1-phenylpyrrol-3-yl)methanimine
CID 50857421
N-cyclohexyl-1-[1-(4-methoxyphenyl)pyrrol-2-yl]methanimine
CID 23964265
4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol
CID 126023499
1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-(6-methoxy-3-pyridinyl)methanimine
CID 126193368
N-[(Z)-[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-4-methylbenzamide
CID 124545717
4-[2-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126239658
1-[4-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]phenyl]ethanone
CID 126028963
N-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)methanimine
CID 86728650
(1R,2S,6R,7R)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 126414088
1-(1-naphthalen-2-ylpyrrol-2-yl)-N-(4-nitrophenyl)methanimine
CID 4676045
N-(4-iodo-3-methylphenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine
CID 4559625

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine?
The IUPAC name of 1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine (CID 955539) is 1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine is COc1ccc(-n2cccc2/C=N/c2ccc(OC)nc2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine?
The InChIKey is OCCHVZYNQYWOPR-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-22-17-8-6-15(7-9-17)21-11-3-4-16(21)13-19-14-5-10-18(23-2)20-12-14/h3-13H,1-2H3/b19-13+.
What are the key properties of 1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine?
1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine has a molecular weight of 307.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)pyrrol-2-yl]-N-(6-methoxy-3-pyridinyl)methanimine is sourced from PubChem (CID 955539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).