N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide

C16H18FN3O — CID 109194634

IUPACN,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccccc2F)cn1
InChIInChI=1S/C16H18FN3O/c1-3-20(4-2)16(21)15-10-9-12(11-18-15)19-14-8-6-5-7-13(14)17/h5-11,19H,3-4H2,1-2H3
InChIKeyJJSWIULWHDIXAF-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.45
Rot. Bonds5

About N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide

N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide (PubChem CID 109194634) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide
PubChem CID109194634
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccccc2F)cn1
InChIInChI=1S/C16H18FN3O/c1-3-20(4-2)16(21)15-10-9-12(11-18-15)19-14-8-6-5-7-13(14)17/h5-11,19H,3-4H2,1-2H3
InChIKeyJJSWIULWHDIXAF-UHFFFAOYSA-N
XLogP3.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194683
N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109194712
N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109124434
5-(2-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183927
5-(2,6-dichloroanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194702
N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109195085
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide
CID 109194672
N-(4-acetylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109198907
N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide
CID 109193246
5-(2-fluoroanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188905
4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218327

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide (CID 109194634) is N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide is CCN(CC)C(=O)c1ccc(Nc2ccccc2F)cn1.
What is the InChIKey of N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide?
The InChIKey is JJSWIULWHDIXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-3-20(4-2)16(21)15-10-9-12(11-18-15)19-14-8-6-5-7-13(14)17/h5-11,19H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide?
N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109194634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).