N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide

C16H16N3O+ — CID 6085414

IUPACN-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide
SMILESO=C(C[n+]1ccccc1)N/N=C1\CCc2ccccc21
InChIInChI=1S/C16H15N3O/c20-16(12-19-10-4-1-5-11-19)18-17-15-9-8-13-6-2-3-7-14(13)15/h1-7,10-11H,8-9,12H2/p+1/b17-15+
InChIKeyPDBPUIDTKNDHRY-BMRADRMJSA-O
MW266.32 g/mol
LogP1.44
Rot. Bonds3

About N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide

N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide (PubChem CID 6085414) has the molecular formula C16H16N3O+ and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide
PubChem CID6085414
Molecular FormulaC16H16N3O+
Molecular Weight266.32 g/mol
Exact Mass266.13
IUPAC NameN-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide
SMILESO=C(C[n+]1ccccc1)N/N=C1\CCc2ccccc21
InChIInChI=1S/C16H15N3O/c20-16(12-19-10-4-1-5-11-19)18-17-15-9-8-13-6-2-3-7-14(13)15/h1-7,10-11H,8-9,12H2/p+1/b17-15+
InChIKeyPDBPUIDTKNDHRY-BMRADRMJSA-O
XLogP1.44
TPSA45.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide
CID 9236400
N-(cyclohexylideneamino)-2-pyridin-1-ium-1-ylacetamide
CID 146021718
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6035258
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 6153371
2-(4-tert-butylphenoxy)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide
CID 7929753
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-naphthalen-2-yloxyacetamide
CID 46662511
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-hydroxybenzamide
CID 6517128
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
CID 6255931
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8866526
4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6520422
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide
CID 6031534

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide?
The IUPAC name of N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide (CID 6085414) is N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide.
What is the SMILES notation for N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide?
The canonical SMILES for N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide is O=C(C[n+]1ccccc1)N/N=C1\CCc2ccccc21.
What is the InChIKey of N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide?
The InChIKey is PDBPUIDTKNDHRY-BMRADRMJSA-O. The full InChI is InChI=1S/C16H15N3O/c20-16(12-19-10-4-1-5-11-19)18-17-15-9-8-13-6-2-3-7-14(13)15/h1-7,10-11H,8-9,12H2/p+1/b17-15+.
What are the key properties of N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide?
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide has a molecular weight of 266.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-pyridin-1-ium-1-ylacetamide is sourced from PubChem (CID 6085414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).