N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide

C22H16FN3O — CID 137425184

IUPACN-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1cc(-c2ccc3cc(F)ccc3n2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C22H16FN3O/c1-14-11-15(20-8-5-16-12-18(23)6-9-21(16)25-20)4-7-19(14)26-22(27)17-3-2-10-24-13-17/h2-13H,1H3,(H,26,27)
InChIKeyDMLUMNONDBYIGM-UHFFFAOYSA-N
MW357.39 g/mol
LogP5.00
Rot. Bonds3

About N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide

N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 137425184) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide
PubChem CID137425184
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC NameN-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1cc(-c2ccc3cc(F)ccc3n2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C22H16FN3O/c1-14-11-15(20-8-5-16-12-18(23)6-9-21(16)25-20)4-7-19(14)26-22(27)17-3-2-10-24-13-17/h2-13H,1H3,(H,26,27)
InChIKeyDMLUMNONDBYIGM-UHFFFAOYSA-N
XLogP5.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
CID 137425596
6-fluoro-2-methyl-N'-(pyridine-3-carbonyl)quinoline-3-carbohydrazide
CID 4732228
N-(2-methyl-4-sulfamoylphenyl)pyridine-3-carboxamide
CID 43246544
N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 2209331
N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
CID 155927543
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]pyridine-3-carboxamide
CID 39184022
N-(2,4-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 53111135
1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126026
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-(4-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 7751885
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103909634

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide (CID 137425184) is N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide is Cc1cc(-c2ccc3cc(F)ccc3n2)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is DMLUMNONDBYIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O/c1-14-11-15(20-8-5-16-12-18(23)6-9-21(16)25-20)4-7-19(14)26-22(27)17-3-2-10-24-13-17/h2-13H,1H3,(H,26,27).
What are the key properties of N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide?
N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 137425184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).