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

C14H13F2N3O — CID 81313433

IUPACN-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2c(N)cc(F)cc2F)c(C)n1
InChIInChI=1S/C14H13F2N3O/c1-7-3-4-10(8(2)18-7)14(20)19-13-11(16)5-9(15)6-12(13)17/h3-6H,17H2,1-2H3,(H,19,20)
InChIKeyFSUFCNUAIOIOHT-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.81
Rot. Bonds2

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

N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 81313433) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID81313433
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC NameN-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2c(N)cc(F)cc2F)c(C)n1
InChIInChI=1S/C14H13F2N3O/c1-7-3-4-10(8(2)18-7)14(20)19-13-11(16)5-9(15)6-12(13)17/h3-6H,17H2,1-2H3,(H,19,20)
InChIKeyFSUFCNUAIOIOHT-UHFFFAOYSA-N
XLogP2.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.81
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-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830762
N-(4-amino-2-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62831114
N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62828848
N-(2-amino-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830415
N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 78965569
2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide
CID 63109685
(2,4-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 113229974
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 62829376
N-(2-amino-4,6-difluorophenyl)pyridine-3-carboxamide
CID 81315271
2-amino-N-(2,6-dimethyl-3-pyridinyl)-5-hydroxybenzamide
CID 107075650
3-amino-N-(2-bromo-4,6-difluorophenyl)-2,5-difluorobenzamide
CID 107120482
N-(2-amino-4,6-difluorophenyl)-2-(2-fluorophenyl)acetamide
CID 81313560

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide (CID 81313433) is N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2c(N)cc(F)cc2F)c(C)n1.
What is the InChIKey of N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is FSUFCNUAIOIOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-7-3-4-10(8(2)18-7)14(20)19-13-11(16)5-9(15)6-12(13)17/h3-6H,17H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide?
N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 277.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81313433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).