1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide

C15H17N2O+ — CID 13473407

IUPAC1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide
SMILESC[n+]1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C15H16N2O/c1-17-11-5-8-14(12-17)15(18)16-10-9-13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3/p+1
InChIKeySVGGFTUCBGXPSJ-UHFFFAOYSA-O
MW241.31 g/mol
LogP1.48
Rot. Bonds4

About 1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide

1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide (PubChem CID 13473407) has the molecular formula C15H17N2O+ and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide
PubChem CID13473407
Molecular FormulaC15H17N2O+
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide
SMILESC[n+]1cccc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C15H16N2O/c1-17-11-5-8-14(12-17)15(18)16-10-9-13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3/p+1
InChIKeySVGGFTUCBGXPSJ-UHFFFAOYSA-O
XLogP1.48
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyridin-1-ium-3-carboxamide
CID 3578527
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
[(1-methylpyridin-1-ium-3-carbonyl)amino]methyl acetate
CID 138705846
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
N-[2-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111136020
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
[2-(2,2-dimethylpropanoyloxy)-4-[2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl]phenyl] 2,2-dimethylpropanoate;2,2,2-trifluoroacetate
CID 14750685

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide (CID 13473407) is 1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide is C[n+]1cccc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide?
The InChIKey is SVGGFTUCBGXPSJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16N2O/c1-17-11-5-8-14(12-17)15(18)16-10-9-13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3/p+1.
What are the key properties of 1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide?
1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide has a molecular weight of 241.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenylethyl)pyridin-1-ium-3-carboxamide is sourced from PubChem (CID 13473407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).