N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide

C22H25FN2O — CID 170415111

IUPACN-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(C2C3CC(CC3F)C2C(=O)Nc2ccc(C)c(C)c2)ccn1
InChIInChI=1S/C22H25FN2O/c1-12-4-5-17(8-13(12)2)25-22(26)21-16-10-18(19(23)11-16)20(21)15-6-7-24-14(3)9-15/h4-9,16,18-21H,10-11H2,1-3H3,(H,25,26)
InChIKeySEVRRDXZINAUOF-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.72
Rot. Bonds3

About N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 170415111) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID170415111
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC NameN-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(C2C3CC(CC3F)C2C(=O)Nc2ccc(C)c(C)c2)ccn1
InChIInChI=1S/C22H25FN2O/c1-12-4-5-17(8-13(12)2)25-22(26)21-16-10-18(19(23)11-16)20(21)15-6-7-24-14(3)9-15/h4-9,16,18-21H,10-11H2,1-3H3,(H,25,26)
InChIKeySEVRRDXZINAUOF-UHFFFAOYSA-N
XLogP4.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-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

N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide
CID 166828922
N-(3,4-dimethylphenyl)-3-(2-methylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 170416277
(1R,2R,3S,4R,5S)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen
CID 142490072
(1S,2S,4R,5S,6R,7R)-7-[(3,4-dimethylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 124718232
(1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethoxy)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 142490078
(1S,2S,4R,5R,6R,7S)-N-(4-chloro-3-cyanophenyl)-7-(2-methyl-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide
CID 150243371
(1R,2R,3S,4R,5S)-N-(3,4-dichlorophenyl)-5-methoxy-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 151457872
(1R,2R,3S,4R,5S,6R)-N-(3,4-dichlorophenyl)-5,6-dihydroxy-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 164517670
(1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen
CID 142490067
N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 2893058
6-hydroxy-3-(2-methyl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 142490096
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119832843

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 170415111) is N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1cc(C2C3CC(CC3F)C2C(=O)Nc2ccc(C)c(C)c2)ccn1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is SEVRRDXZINAUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-12-4-5-17(8-13(12)2)25-22(26)21-16-10-18(19(23)11-16)20(21)15-6-7-24-14(3)9-15/h4-9,16,18-21H,10-11H2,1-3H3,(H,25,26).
What are the key properties of N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 352.45 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 170415111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).