3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide

C16H18FN3O — CID 105384003

IUPAC3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2c(C)cc(C)cc2C)c1F
InChIInChI=1S/C16H18FN3O/c1-9-7-10(2)14(11(3)8-9)20-16(21)12-5-6-19-15(18-4)13(12)17/h5-8H,1-4H3,(H,18,19)(H,20,21)
InChIKeyNZQGXPRQEIOCGH-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.44
Rot. Bonds3

About 3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide

3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide (PubChem CID 105384003) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
PubChem CID105384003
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2c(C)cc(C)cc2C)c1F
InChIInChI=1S/C16H18FN3O/c1-9-7-10(2)14(11(3)8-9)20-16(21)12-5-6-19-15(18-4)13(12)17/h5-8H,1-4H3,(H,18,19)(H,20,21)
InChIKeyNZQGXPRQEIOCGH-UHFFFAOYSA-N
XLogP3.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichloro-4-fluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387184
3-fluoro-N-(2-fluoro-4-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105383951
3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105384530
N-(2-bromo-4-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384019
N-(5-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385053
N-(2-chloro-5-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 107631178
N-(5-chloro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105383965
N-(4-bromo-5-fluoro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387648
3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105386062
N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385118
N-(2,3-difluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385160
3-fluoro-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide
CID 105387664

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide (CID 105384003) is 3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide is CNc1nccc(C(=O)Nc2c(C)cc(C)cc2C)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
The InChIKey is NZQGXPRQEIOCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-9-7-10(2)14(11(3)8-9)20-16(21)12-5-6-19-15(18-4)13(12)17/h5-8H,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 105384003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).