N-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide

C12H19N2O+ — CID 71420034

IUPACN-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide
SMILESCCCCNC(=O)Cc1cccc[n+]1C
InChIInChI=1S/C12H18N2O/c1-3-4-8-13-12(15)10-11-7-5-6-9-14(11)2/h5-7,9H,3-4,8,10H2,1-2H3/p+1
InChIKeyUZZPRUIAYXHSLO-UHFFFAOYSA-O
MW207.30 g/mol
LogP0.97
Rot. Bonds5

About N-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide

N-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide (PubChem CID 71420034) has the molecular formula C12H19N2O+ and a molecular weight of 207.30 g/mol. Its IUPAC name is N-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide
PubChem CID71420034
Molecular FormulaC12H19N2O+
Molecular Weight207.30 g/mol
Exact Mass207.15
IUPAC NameN-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide
SMILESCCCCNC(=O)Cc1cccc[n+]1C
InChIInChI=1S/C12H18N2O/c1-3-4-8-13-12(15)10-11-7-5-6-9-14(11)2/h5-7,9H,3-4,8,10H2,1-2H3/p+1
InChIKeyUZZPRUIAYXHSLO-UHFFFAOYSA-O
XLogP0.97
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-2-oxooctadecanamide iodide
CID 11214900
[2-[2-(butylamino)-2-oxoethyl]phenyl] sulfamate
CID 70535528
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
2-(2-bromophenyl)-N-pentylacetamide
CID 113098374
N-butyl-2-(1-methylpyrrol-3-yl)acetamide
CID 110768899
N-butyl-4-phenylbenzamide
CID 3637649
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953
N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 78791395
N-butyl-2-[(2-methylphenyl)methylsulfinyl]acetamide
CID 47022755
2-(2-chloro-4-tetradecoxyphenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]acetamide iodide
CID 19016372
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide?
The IUPAC name of N-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide (CID 71420034) is N-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide.
What is the SMILES notation for N-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide?
The canonical SMILES for N-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide is CCCCNC(=O)Cc1cccc[n+]1C.
What is the InChIKey of N-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide?
The InChIKey is UZZPRUIAYXHSLO-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H18N2O/c1-3-4-8-13-12(15)10-11-7-5-6-9-14(11)2/h5-7,9H,3-4,8,10H2,1-2H3/p+1.
What are the key properties of N-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide?
N-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide has a molecular weight of 207.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(1-methylpyridin-1-ium-2-yl)acetamide is sourced from PubChem (CID 71420034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).