2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide

C15H16FN3O — CID 105385601

IUPAC2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2ccnc(N)c2F)c1
InChIInChI=1S/C15H16FN3O/c1-9-6-10(2)8-11(7-9)19(3)15(20)12-4-5-18-14(17)13(12)16/h4-8H,1-3H3,(H2,17,18)
InChIKeyQUXXUULIADTYOI-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.70
Rot. Bonds2

About 2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide

2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 105385601) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
PubChem CID105385601
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2ccnc(N)c2F)c1
InChIInChI=1S/C15H16FN3O/c1-9-6-10(2)8-11(7-9)19(3)15(20)12-4-5-18-14(17)13(12)16/h4-8H,1-3H3,(H2,17,18)
InChIKeyQUXXUULIADTYOI-UHFFFAOYSA-N
XLogP2.70
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3,5-dimethylphenyl)-N-methylpyridine-3-carboxamide
CID 62161798
2-amino-3-fluoro-N-(3-methoxyphenyl)-N-methylpyridine-4-carboxamide
CID 105385330
2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide
CID 62002165
2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 105385956
2-amino-N-cyclopropyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 105384758
2-amino-3-fluoro-N-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105384771
N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide
CID 79776952
N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105381112
2-amino-3-fluoro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 105385002
2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 105385823
2-amino-N-ethyl-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 105384763
N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide
CID 63979948

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide (CID 105385601) is 2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide is Cc1cc(C)cc(N(C)C(=O)c2ccnc(N)c2F)c1.
What is the InChIKey of 2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is QUXXUULIADTYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-9-6-10(2)8-11(7-9)19(3)15(20)12-4-5-18-14(17)13(12)16/h4-8H,1-3H3,(H2,17,18).
What are the key properties of 2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide?
2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105385601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).