5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide

C16H12FN3O — CID 146080713

IUPAC5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide
SMILESCc1nc(C(=O)Nc2cccc3ncccc23)ccc1F
InChIInChI=1S/C16H12FN3O/c1-10-12(17)7-8-15(19-10)16(21)20-14-6-2-5-13-11(14)4-3-9-18-13/h2-9H,1H3,(H,20,21)
InChIKeyJODAOXMLOHBFJB-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.33
Rot. Bonds2

About 5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide

5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide (PubChem CID 146080713) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide
PubChem CID146080713
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide
SMILESCc1nc(C(=O)Nc2cccc3ncccc23)ccc1F
InChIInChI=1S/C16H12FN3O/c1-10-12(17)7-8-15(19-10)16(21)20-14-6-2-5-13-11(14)4-3-9-18-13/h2-9H,1H3,(H,20,21)
InChIKeyJODAOXMLOHBFJB-UHFFFAOYSA-N
XLogP3.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
2,3,4-trifluoro-N-quinolin-5-ylbenzamide
CID 110868233
6-(methylamino)-N-quinolin-5-ylpyridazine-3-carboxamide
CID 62187272
6-chloro-N-quinolin-5-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 42536747
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
2-amino-N-quinolin-5-yl-1,3-thiazole-4-carboxamide
CID 55115964
2-methyl-6-phenyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 34130475
5-methyl-N-quinolin-5-ylfuran-2-carboxamide
CID 9452246
CID 73213052
CID 73213052

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide?
The IUPAC name of 5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide (CID 146080713) is 5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide is Cc1nc(C(=O)Nc2cccc3ncccc23)ccc1F.
What is the InChIKey of 5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide?
The InChIKey is JODAOXMLOHBFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c1-10-12(17)7-8-15(19-10)16(21)20-14-6-2-5-13-11(14)4-3-9-18-13/h2-9H,1H3,(H,20,21).
What are the key properties of 5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide?
5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide has a molecular weight of 281.29 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide is sourced from PubChem (CID 146080713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).