N-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide

C24H26N3O+ — CID 59112769

IUPACN-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide
SMILESCC1CC1N(CC(=O)Nc1cc[n+](Cc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H25N3O/c1-19-16-23(19)27(22-10-6-3-7-11-22)18-24(28)25-21-12-14-26(15-13-21)17-20-8-4-2-5-9-20/h2-15,19,23H,16-18H2,1H3/p+1
InChIKeyABUIRVARZSVDSZ-UHFFFAOYSA-O
MW372.49 g/mol
LogP3.88
Rot. Bonds7

About N-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide

N-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide (PubChem CID 59112769) has the molecular formula C24H26N3O+ and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide
PubChem CID59112769
Molecular FormulaC24H26N3O+
Molecular Weight372.49 g/mol
Exact Mass372.21
IUPAC NameN-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide
SMILESCC1CC1N(CC(=O)Nc1cc[n+](Cc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H25N3O/c1-19-16-23(19)27(22-10-6-3-7-11-22)18-24(28)25-21-12-14-26(15-13-21)17-20-8-4-2-5-9-20/h2-15,19,23H,16-18H2,1H3/p+1
InChIKeyABUIRVARZSVDSZ-UHFFFAOYSA-O
XLogP3.88
TPSA36.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzylpyridin-1-ium-4-yl)acetamide
CID 21235965
N-(1-benzylpyridin-1-ium-4-yl)-4-phenylbenzamide
CID 162652521
N-(1-benzylpyridin-1-ium-4-yl)-2-methoxybenzamide
CID 162659038
2-(N-benzylanilino)-N-(4-methylphenyl)acetamide
CID 109007221
N-(1-benzylpyridin-1-ium-4-yl)-3,4-difluorobenzamide
CID 162674646
1-benzylpyridin-1-ium-4-carboxamide iodide
CID 19829097
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 65482728
N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 22890003
3-[4-[N-(2-methylpropyl)anilino]piperidin-1-yl]-3-oxo-N-(4-phenylphenyl)propanamide
CID 91201568
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-(N-methylanilino)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 32735641
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide?
The IUPAC name of N-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide (CID 59112769) is N-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide.
What is the SMILES notation for N-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide?
The canonical SMILES for N-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide is CC1CC1N(CC(=O)Nc1cc[n+](Cc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide?
The InChIKey is ABUIRVARZSVDSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25N3O/c1-19-16-23(19)27(22-10-6-3-7-11-22)18-24(28)25-21-12-14-26(15-13-21)17-20-8-4-2-5-9-20/h2-15,19,23H,16-18H2,1H3/p+1.
What are the key properties of N-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide?
N-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide has a molecular weight of 372.49 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyridin-1-ium-4-yl)-2-(N-(2-methylcyclopropyl)anilino)acetamide is sourced from PubChem (CID 59112769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).