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

C19H15ClN2O2 — CID 134125127

IUPACN-(3-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2)ccc(-c2ccccc2)[n+]1[O-]
InChIInChI=1S/C19H15ClN2O2/c1-13-17(19(23)21-16-9-5-8-15(20)12-16)10-11-18(22(13)24)14-6-3-2-4-7-14/h2-12H,1H3,(H,21,23)
InChIKeyPMQGPPCCTIGYJZ-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.20
Rot. Bonds3

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

N-(3-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide (PubChem CID 134125127) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide
PubChem CID134125127
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC NameN-(3-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2)ccc(-c2ccccc2)[n+]1[O-]
InChIInChI=1S/C19H15ClN2O2/c1-13-17(19(23)21-16-9-5-8-15(20)12-16)10-11-18(22(13)24)14-6-3-2-4-7-14/h2-12H,1H3,(H,21,23)
InChIKeyPMQGPPCCTIGYJZ-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

N-(2-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide
CID 134125124
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 110695775
N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 26719726
2-[2-[(3-chlorophenyl)carbamoyl]phenyl]acetate
CID 7009272
N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691306
2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
CID 55177097
N-(3-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 803481
N-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680893
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide (CID 134125127) is N-(3-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide is Cc1c(C(=O)Nc2cccc(Cl)c2)ccc(-c2ccccc2)[n+]1[O-].
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide?
The InChIKey is PMQGPPCCTIGYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-13-17(19(23)21-16-9-5-8-15(20)12-16)10-11-18(22(13)24)14-6-3-2-4-7-14/h2-12H,1H3,(H,21,23).
What are the key properties of N-(3-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide?
N-(3-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-(3-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide is sourced from PubChem (CID 134125127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).