N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide

C20H18FN3O — CID 109233085

IUPACN-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cncc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H18FN3O/c1-24(14-15-5-3-2-4-6-15)20(25)16-11-19(13-22-12-16)23-18-9-7-17(21)8-10-18/h2-13,23H,14H2,1H3
InChIKeyZBMBJGILWLWVEQ-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.24
Rot. Bonds5

About N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide

N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide (PubChem CID 109233085) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
PubChem CID109233085
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cncc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H18FN3O/c1-24(14-15-5-3-2-4-6-15)20(25)16-11-19(13-22-12-16)23-18-9-7-17(21)8-10-18/h2-13,23H,14H2,1H3
InChIKeyZBMBJGILWLWVEQ-UHFFFAOYSA-N
XLogP4.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109233093
N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 109233098
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109234812
N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide
CID 109234765
5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236480
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548
N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347946
5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232288
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109119112
5-N-benzyl-3-N-(3,5-dimethylphenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109105456
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide (CID 109233085) is N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1cncc(Nc2ccc(F)cc2)c1.
What is the InChIKey of N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is ZBMBJGILWLWVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-24(14-15-5-3-2-4-6-15)20(25)16-11-19(13-22-12-16)23-18-9-7-17(21)8-10-18/h2-13,23H,14H2,1H3.
What are the key properties of N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide?
N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109233085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).