N-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide

C15H15IN2O2 — CID 17384153

IUPACN-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide
SMILESCC(=O)Nc1ccc(C(=O)C[n+]2ccccc2)cc1.[I-]
InChIInChI=1S/C15H14N2O2.HI/c1-12(18)16-14-7-5-13(6-8-14)15(19)11-17-9-3-2-4-10-17;/h2-10H,11H2,1H3;1H
InChIKeyOWGUZETUBDUTCN-UHFFFAOYSA-N
MW382.20 g/mol
LogP-1.18
Rot. Bonds4

About N-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide

N-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide (PubChem CID 17384153) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is N-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide.

Molecular Properties

Compound NameN-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide
PubChem CID17384153
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC NameN-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide
SMILESCC(=O)Nc1ccc(C(=O)C[n+]2ccccc2)cc1.[I-]
InChIInChI=1S/C15H14N2O2.HI/c1-12(18)16-14-7-5-13(6-8-14)15(19)11-17-9-3-2-4-10-17;/h2-10H,11H2,1H3;1H
InChIKeyOWGUZETUBDUTCN-UHFFFAOYSA-N
XLogP-1.18
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;1-phenyl-2-pyridin-1-ium-1-ylethanone
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1-(4-iodophenyl)-2-pyridin-1-ium-1-ylethanone bromide
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1-(4-methoxyphenyl)-2-pyridin-1-ium-1-ylethanone bromide
CID 11709318
N-[4-(3-aminopropanoyl)phenyl]acetamide
CID 82341482
(4-acetamidophenyl) 2-chloroacetate;(4-acetamidophenyl) 2-pyridin-1-ium-1-ylacetate;chloride
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4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298256
N-(1-phenacylpyridin-1-ium-3-yl)benzamide
CID 3104420
1-(4-chlorophenyl)-2-(4-chloropyridin-1-ium-1-yl)ethanone iodide
CID 88819755
N-(1-benzylpyridin-1-ium-4-yl)acetamide
CID 21235965
1-[4-[2-(4-tert-butylpyridin-1-ium-1-yl)acetyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90486722
4-(4-acetamidoanilino)benzoic acid
CID 11425691

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide?
The IUPAC name of N-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide (CID 17384153) is N-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide.
What is the SMILES notation for N-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide?
The canonical SMILES for N-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide is CC(=O)Nc1ccc(C(=O)C[n+]2ccccc2)cc1.[I-].
What is the InChIKey of N-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide?
The InChIKey is OWGUZETUBDUTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2.HI/c1-12(18)16-14-7-5-13(6-8-14)15(19)11-17-9-3-2-4-10-17;/h2-10H,11H2,1H3;1H.
What are the key properties of N-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide?
N-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide has a molecular weight of 382.20 g/mol, XLogP of -1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyridin-1-ium-1-ylacetyl)phenyl]acetamide iodide is sourced from PubChem (CID 17384153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).