N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide

C15H15FN2O — CID 110851337

IUPACN-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide
SMILESCc1nccc(C(=O)NCc2ccc(F)cc2)c1C
InChIInChI=1S/C15H15FN2O/c1-10-11(2)17-8-7-14(10)15(19)18-9-12-3-5-13(16)6-4-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyODWFFFWJITVONQ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.77
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide

N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide (PubChem CID 110851337) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide
PubChem CID110851337
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide
SMILESCc1nccc(C(=O)NCc2ccc(F)cc2)c1C
InChIInChI=1S/C15H15FN2O/c1-10-11(2)17-8-7-14(10)15(19)18-9-12-3-5-13(16)6-4-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyODWFFFWJITVONQ-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2,3-dimethylpyridine-4-carboxamide
CID 110850641
N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide
CID 110853490
4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 20627948
1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 4157405
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78950948
2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 110851489
2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105381189
N-[(4-fluorophenyl)methyl]-3-(methoxymethoxy)-2-phenylmethoxypyridine-4-carboxamide
CID 69476732
N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide
CID 125490188

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide (CID 110851337) is N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide is Cc1nccc(C(=O)NCc2ccc(F)cc2)c1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide?
The InChIKey is ODWFFFWJITVONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-11(2)17-8-7-14(10)15(19)18-9-12-3-5-13(16)6-4-12/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 110851337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).