5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide

C18H16FN3O — CID 166712727

IUPAC5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide
SMILESCCc1cccc2c(F)c(-c3ccc(C(=O)NC)nc3)ncc12
InChIInChI=1S/C18H16FN3O/c1-3-11-5-4-6-13-14(11)10-22-17(16(13)19)12-7-8-15(21-9-12)18(23)20-2/h4-10H,3H2,1-2H3,(H,20,23)
InChIKeyFMEXDFUODAULSG-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.36
Rot. Bonds3

About 5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide

5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide (PubChem CID 166712727) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide
PubChem CID166712727
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide
SMILESCCc1cccc2c(F)c(-c3ccc(C(=O)NC)nc3)ncc12
InChIInChI=1S/C18H16FN3O/c1-3-11-5-4-6-13-14(11)10-22-17(16(13)19)12-7-8-15(21-9-12)18(23)20-2/h4-10H,3H2,1-2H3,(H,20,23)
InChIKeyFMEXDFUODAULSG-UHFFFAOYSA-N
XLogP3.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-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

5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104639889
N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 136529873
N-ethyl-5-(4-fluorophenyl)pyridine-2-carboxamide;fluorobenzene
CID 174988717
5-(bromomethyl)-N-methylpyridine-2-carboxamide
CID 166088325
5-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)-N-methylpyridine-2-carboxamide
CID 172890392
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide
CID 171682359
5-[6-cyano-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-N-methylpyridine-2-carboxamide
CID 134327663
5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide
CID 137483051
methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
2-chloro-6-ethyl-N-methylbenzamide
CID 142221767
5-ethyl-N,6-dimethylpyridine-2-carboxamide
CID 166088986
5-chloro-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 107371744

Frequently Asked Questions

What is the IUPAC name of 5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide (CID 166712727) is 5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide is CCc1cccc2c(F)c(-c3ccc(C(=O)NC)nc3)ncc12.
What is the InChIKey of 5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is FMEXDFUODAULSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-3-11-5-4-6-13-14(11)10-22-17(16(13)19)12-7-8-15(21-9-12)18(23)20-2/h4-10H,3H2,1-2H3,(H,20,23).
What are the key properties of 5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide?
5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-ethyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 166712727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).