N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide

C19H24N3O+ — CID 19993619

IUPACN-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide
SMILESO=C(C[n+]1ccccc1)Nc1ccccc1NC1CCCCC1
InChIInChI=1S/C19H23N3O/c23-19(15-22-13-7-2-8-14-22)21-18-12-6-5-11-17(18)20-16-9-3-1-4-10-16/h2,5-8,11-14,16,20H,1,3-4,9-10,15H2/p+1
InChIKeyGRFUOBASGALFLS-UHFFFAOYSA-O
MW310.42 g/mol
LogP3.36
Rot. Bonds5

About N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide

N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide (PubChem CID 19993619) has the molecular formula C19H24N3O+ and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide
PubChem CID19993619
Molecular FormulaC19H24N3O+
Molecular Weight310.42 g/mol
Exact Mass310.19
IUPAC NameN-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide
SMILESO=C(C[n+]1ccccc1)Nc1ccccc1NC1CCCCC1
InChIInChI=1S/C19H23N3O/c23-19(15-22-13-7-2-8-14-22)21-18-12-6-5-11-17(18)20-16-9-3-1-4-10-16/h2,5-8,11-14,16,20H,1,3-4,9-10,15H2/p+1
InChIKeyGRFUOBASGALFLS-UHFFFAOYSA-O
XLogP3.36
TPSA45.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide?
The IUPAC name of N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide (CID 19993619) is N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide?
The canonical SMILES for N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide is O=C(C[n+]1ccccc1)Nc1ccccc1NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide?
The InChIKey is GRFUOBASGALFLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N3O/c23-19(15-22-13-7-2-8-14-22)21-18-12-6-5-11-17(18)20-16-9-3-1-4-10-16/h2,5-8,11-14,16,20H,1,3-4,9-10,15H2/p+1.
What are the key properties of N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide?
N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide has a molecular weight of 310.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide is sourced from PubChem (CID 19993619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).