N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide

C28H23N4O+ — CID 146021708

IUPACN-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
SMILESO=C(C[n+]1ccccc1)N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C28H22N4O/c33-27(21-31-18-10-3-11-19-31)30-29-20-25-24-16-8-9-17-26(24)32(23-14-6-2-7-15-23)28(25)22-12-4-1-5-13-22/h1-20H,21H2/p+1/b29-20+
InChIKeyYXWOIYXEYVLHBI-ZTKZIYFRSA-O
MW431.52 g/mol
LogP4.74
Rot. Bonds6

About N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide

N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide (PubChem CID 146021708) has the molecular formula C28H23N4O+ and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
PubChem CID146021708
Molecular FormulaC28H23N4O+
Molecular Weight431.52 g/mol
Exact Mass431.19
IUPAC NameN-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
SMILESO=C(C[n+]1ccccc1)N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C28H22N4O/c33-27(21-31-18-10-3-11-19-31)30-29-20-25-24-16-8-9-17-26(24)32(23-14-6-2-7-15-23)28(25)22-12-4-1-5-13-22/h1-20H,21H2/p+1/b29-20+
InChIKeyYXWOIYXEYVLHBI-ZTKZIYFRSA-O
XLogP4.74
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenoxy)-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]acetamide
CID 6901775
N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6902143
N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
CID 3485439
3-(4-benzhydrylpiperazin-1-yl)-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]propanamide
CID 146025202
N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2308479
N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6250185
4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
CID 87343577
N-[(1,2-diphenylindol-3-yl)methylideneamino]-N-methylmethanamine
CID 2319936
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide
CID 6902807
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride
CID 132933007
methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate
CID 169479953
N-[(4-tert-butylphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 2321367

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide?
The IUPAC name of N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide (CID 146021708) is N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide.
What is the SMILES notation for N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide?
The canonical SMILES for N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide is O=C(C[n+]1ccccc1)N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide?
The InChIKey is YXWOIYXEYVLHBI-ZTKZIYFRSA-O. The full InChI is InChI=1S/C28H22N4O/c33-27(21-31-18-10-3-11-19-31)30-29-20-25-24-16-8-9-17-26(24)32(23-14-6-2-7-15-23)28(25)22-12-4-1-5-13-22/h1-20H,21H2/p+1/b29-20+.
What are the key properties of N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide?
N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide has a molecular weight of 431.52 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide is sourced from PubChem (CID 146021708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).