N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide

C16H18FN3O — CID 105384421

IUPACN-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)Nc2cc(C)ccc2C)c1F
InChIInChI=1S/C16H18FN3O/c1-4-18-15-14(17)12(7-8-19-15)16(21)20-13-9-10(2)5-6-11(13)3/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyBRSLPJQGEIPFTF-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.52
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide

N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide (PubChem CID 105384421) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
PubChem CID105384421
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)Nc2cc(C)ccc2C)c1F
InChIInChI=1S/C16H18FN3O/c1-4-18-15-14(17)12(7-8-19-15)16(21)20-13-9-10(2)5-6-11(13)3/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyBRSLPJQGEIPFTF-UHFFFAOYSA-N
XLogP3.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387954
2-(ethylamino)-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384563
2-(ethylamino)-3-fluoro-N-(3-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 105386333
N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386278
N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384647
3-fluoro-N-(5-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105384530
N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387021
N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385118
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
3-fluoro-N-(2-fluoro-4-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 105383951

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide (CID 105384421) is N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide is CCNc1nccc(C(=O)Nc2cc(C)ccc2C)c1F.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The InChIKey is BRSLPJQGEIPFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-4-18-15-14(17)12(7-8-19-15)16(21)20-13-9-10(2)5-6-11(13)3/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105384421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).