(E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine

C31H29N5 — CID 20582706

IUPAC(E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine
SMILESC/C(=N\n1c(C)ccc1-c1ccccc1)c1cccc(/C(C)=N/n2c(C)ccc2-c2ccccc2)n1
InChIInChI=1S/C31H29N5/c1-22-18-20-30(26-12-7-5-8-13-26)35(22)33-24(3)28-16-11-17-29(32-28)25(4)34-36-23(2)19-21-31(36)27-14-9-6-10-15-27/h5-21H,1-4H3/b33-24+,34-25+
InChIKeyIRUXKWDBGDAKKV-WASGUHIUSA-N
MW471.61 g/mol
LogP7.18
Rot. Bonds6

About (E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine

(E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine (PubChem CID 20582706) has the molecular formula C31H29N5 and a molecular weight of 471.61 g/mol. Its IUPAC name is (E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine.

Molecular Properties

Compound Name(E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine
PubChem CID20582706
Molecular FormulaC31H29N5
Molecular Weight471.61 g/mol
Exact Mass471.24
IUPAC Name(E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine
SMILESC/C(=N\n1c(C)ccc1-c1ccccc1)c1cccc(/C(C)=N/n2c(C)ccc2-c2ccccc2)n1
InChIInChI=1S/C31H29N5/c1-22-18-20-30(26-12-7-5-8-13-26)35(22)33-24(3)28-16-11-17-29(32-28)25(4)34-36-23(2)19-21-31(36)27-14-9-6-10-15-27/h5-21H,1-4H3/b33-24+,34-25+
InChIKeyIRUXKWDBGDAKKV-WASGUHIUSA-N
XLogP7.18
TPSA47.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.61
LogP ≤ 57.18
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 (E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine?
The IUPAC name of (E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine (CID 20582706) is (E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine.
What is the SMILES notation for (E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine?
The canonical SMILES for (E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine is C/C(=N\n1c(C)ccc1-c1ccccc1)c1cccc(/C(C)=N/n2c(C)ccc2-c2ccccc2)n1.
What is the InChIKey of (E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine?
The InChIKey is IRUXKWDBGDAKKV-WASGUHIUSA-N. The full InChI is InChI=1S/C31H29N5/c1-22-18-20-30(26-12-7-5-8-13-26)35(22)33-24(3)28-16-11-17-29(32-28)25(4)34-36-23(2)19-21-31(36)27-14-9-6-10-15-27/h5-21H,1-4H3/b33-24+,34-25+.
What are the key properties of (E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine?
(E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine has a molecular weight of 471.61 g/mol, XLogP of 7.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[6-[(E)-C-methyl-N-(2-methyl-5-phenylpyrrol-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methyl-5-phenylpyrrol-1-yl)ethanimine is sourced from PubChem (CID 20582706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).