N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide

C18H16FN3O — CID 155909866

IUPACN-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide
SMILESCCN(C)C(=O)c1ccc(-c2cnc3cccc(F)c3c2)nc1
InChIInChI=1S/C18H16FN3O/c1-3-22(2)18(23)12-7-8-16(20-10-12)13-9-14-15(19)5-4-6-17(14)21-11-13/h4-11H,3H2,1-2H3
InChIKeyIVJWKKIBWHVOFQ-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.53
Rot. Bonds3

About N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide

N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide (PubChem CID 155909866) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide
PubChem CID155909866
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide
SMILESCCN(C)C(=O)c1ccc(-c2cnc3cccc(F)c3c2)nc1
InChIInChI=1S/C18H16FN3O/c1-3-22(2)18(23)12-7-8-16(20-10-12)13-9-14-15(19)5-4-6-17(14)21-11-13/h4-11H,3H2,1-2H3
InChIKeyIVJWKKIBWHVOFQ-UHFFFAOYSA-N
XLogP3.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 162633536
N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560
N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 134023621
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
N-methyl-6-phenyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 110683644
N-[(2-fluorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 134057045
ethane;5-fluoro-3-methylquinoline
CID 156751037
N-[(2R)-butan-2-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 95056530
N-[2-(dimethylamino)-2-oxoethyl]-6-fluoro-N-methylpyridine-3-carboxamide
CID 63971406
N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681859
6-(ethylamino)-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
CID 62337035

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide (CID 155909866) is N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide is CCN(C)C(=O)c1ccc(-c2cnc3cccc(F)c3c2)nc1.
What is the InChIKey of N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide?
The InChIKey is IVJWKKIBWHVOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-3-22(2)18(23)12-7-8-16(20-10-12)13-9-14-15(19)5-4-6-17(14)21-11-13/h4-11H,3H2,1-2H3.
What are the key properties of N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide?
N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(5-fluoroquinolin-3-yl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 155909866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).