N-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide

C19H15ClN2O2 — CID 134125124

IUPACN-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cl)ccc(-c2ccccc2)[n+]1[O-]
InChIInChI=1S/C19H15ClN2O2/c1-13-15(19(23)21-17-10-6-5-9-16(17)20)11-12-18(22(13)24)14-7-3-2-4-8-14/h2-12H,1H3,(H,21,23)
InChIKeyYPAJJLQBAUOAOB-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.20
Rot. Bonds3

About N-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide

N-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide (PubChem CID 134125124) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide
PubChem CID134125124
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC NameN-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cl)ccc(-c2ccccc2)[n+]1[O-]
InChIInChI=1S/C19H15ClN2O2/c1-13-15(19(23)21-17-10-6-5-9-16(17)20)11-12-18(22(13)24)14-7-3-2-4-8-14/h2-12H,1H3,(H,21,23)
InChIKeyYPAJJLQBAUOAOB-UHFFFAOYSA-N
XLogP4.20
TPSA56.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-chlorophenyl)-4,6-diphenylpyrimidine-2-carboxamide
CID 4245690
2-chloro-N-(2-chlorophenyl)-3-methoxybenzamide
CID 45051392
2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135
N-(2-chlorophenyl)-4-methoxynaphthalene-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide (CID 134125124) is N-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide is Cc1c(C(=O)Nc2ccccc2Cl)ccc(-c2ccccc2)[n+]1[O-].
What is the InChIKey of N-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide?
The InChIKey is YPAJJLQBAUOAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-13-15(19(23)21-17-10-6-5-9-16(17)20)11-12-18(22(13)24)14-7-3-2-4-8-14/h2-12H,1H3,(H,21,23).
What are the key properties of N-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide?
N-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide has a molecular weight of 338.79 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide is sourced from PubChem (CID 134125124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).