N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide

C14H14FN3O — CID 62830762

IUPACN-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2N)c(C)n1
InChIInChI=1S/C14H14FN3O/c1-8-3-5-11(9(2)17-8)14(19)18-13-6-4-10(15)7-12(13)16/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyTYEKTBQHEUEOTO-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.67
Rot. Bonds2

About N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide

N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 62830762) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID62830762
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2N)c(C)n1
InChIInChI=1S/C14H14FN3O/c1-8-3-5-11(9(2)17-8)14(19)18-13-6-4-10(15)7-12(13)16/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyTYEKTBQHEUEOTO-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62828848
N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 81313433
N-(2-amino-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830415
N-(4-amino-2-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62831114
N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 78965569
N-(2-amino-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24710172
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16773048
N-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104
N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 81024100
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide (CID 62830762) is N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(F)cc2N)c(C)n1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is TYEKTBQHEUEOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-8-3-5-11(9(2)17-8)14(19)18-13-6-4-10(15)7-12(13)16/h3-7H,16H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide?
N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 62830762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).