N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide

C19H18N3O2+ — CID 110194367

IUPACN-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cc[n+](Cc3ccccc3)cc2)c[nH]c1=O
InChIInChI=1S/C19H17N3O2/c1-14(23)21-18-11-17(12-20-19(18)24)16-7-9-22(10-8-16)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,23)/p+1
InChIKeyCGIIJLAHSDXYSJ-UHFFFAOYSA-O
MW320.37 g/mol
LogP2.34
Rot. Bonds4

About N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide

N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide (PubChem CID 110194367) has the molecular formula C19H18N3O2+ and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide
PubChem CID110194367
Molecular FormulaC19H18N3O2+
Molecular Weight320.37 g/mol
Exact Mass320.14
IUPAC NameN-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cc[n+](Cc3ccccc3)cc2)c[nH]c1=O
InChIInChI=1S/C19H17N3O2/c1-14(23)21-18-11-17(12-20-19(18)24)16-7-9-22(10-8-16)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,23)/p+1
InChIKeyCGIIJLAHSDXYSJ-UHFFFAOYSA-O
XLogP2.34
TPSA65.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpyridin-1-ium-4-yl)acetamide
CID 21235965
1-benzyl-4-phenylpyridin-1-ium chloride
CID 10468957
4-azulen-2-yl-1-benzylpyridin-1-ium
CID 139730887
1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea
CID 110874471
N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide
CID 162652521
CID 139143907
CID 139143907
1-benzyl-4-(3-methylphenyl)pyridin-1-ium
CID 139731998
(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide
CID 71453406
(2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide
CID 67497525
2-[4-[1-[[3,5-bis[[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid
CID 118617596
1-[[4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4-[1-[[4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 89253840
4-[[4-[1-[(4-carboxyphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]benzoic acid
CID 86074431

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide?
The IUPAC name of N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide (CID 110194367) is N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide.
What is the SMILES notation for N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide?
The canonical SMILES for N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide is CC(=O)Nc1cc(-c2cc[n+](Cc3ccccc3)cc2)c[nH]c1=O.
What is the InChIKey of N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide?
The InChIKey is CGIIJLAHSDXYSJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17N3O2/c1-14(23)21-18-11-17(12-20-19(18)24)16-7-9-22(10-8-16)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,23)/p+1.
What are the key properties of N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide?
N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide has a molecular weight of 320.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide is sourced from PubChem (CID 110194367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).