3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide

C18H15FN4O — CID 122246680

IUPAC3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nccnc2-c2cccnc2)cc1F
InChIInChI=1S/C18H15FN4O/c1-12-4-5-13(9-15(12)19)18(24)23-11-16-17(22-8-7-21-16)14-3-2-6-20-10-14/h2-10H,11H2,1H3,(H,23,24)
InChIKeyLNNCHGZSLNRHEY-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.92
Rot. Bonds4

About 3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide

3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide (PubChem CID 122246680) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide
PubChem CID122246680
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nccnc2-c2cccnc2)cc1F
InChIInChI=1S/C18H15FN4O/c1-12-4-5-13(9-15(12)19)18(24)23-11-16-17(22-8-7-21-16)14-3-2-6-20-10-14/h2-10H,11H2,1H3,(H,23,24)
InChIKeyLNNCHGZSLNRHEY-UHFFFAOYSA-N
XLogP2.92
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide 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

1,5-dimethyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]pyrazole-3-carboxamide
CID 126855585
4-morpholin-4-yl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide
CID 126854137
4-fluoro-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 55205389
2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide
CID 122246686
3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide
CID 86266190
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309173
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide
CID 91796729
N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide
CID 126854250
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzamide
CID 47345055
ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate
CID 46317855
3-fluoro-4-methyl-N-[2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]ethyl]benzamide
CID 55666059

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide (CID 122246680) is 3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2nccnc2-c2cccnc2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide?
The InChIKey is LNNCHGZSLNRHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-12-4-5-13(9-15(12)19)18(24)23-11-16-17(22-8-7-21-16)14-3-2-6-20-10-14/h2-10H,11H2,1H3,(H,23,24).
What are the key properties of 3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide?
3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide has a molecular weight of 322.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 122246680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).