3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide

C21H18FN5O2 — CID 170510905

IUPAC3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)c1cc(F)cc(-c2nccnc2C#N)c1
InChIInChI=1S/C21H18FN5O2/c1-12-6-13(2)27-21(29-3)17(12)11-26-20(28)15-7-14(8-16(22)9-15)19-18(10-23)24-4-5-25-19/h4-9H,11H2,1-3H3,(H,26,28)
InChIKeyFZJIZPCLTJIHDB-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.10
Rot. Bonds5

About 3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide

3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide (PubChem CID 170510905) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide
PubChem CID170510905
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)c1cc(F)cc(-c2nccnc2C#N)c1
InChIInChI=1S/C21H18FN5O2/c1-12-6-13(2)27-21(29-3)17(12)11-26-20(28)15-7-14(8-16(22)9-15)19-18(10-23)24-4-5-25-19/h4-9H,11H2,1-3H3,(H,26,28)
InChIKeyFZJIZPCLTJIHDB-UHFFFAOYSA-N
XLogP3.10
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)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

N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 146144337
2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide
CID 91776501
3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 162629903
N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide
CID 53148143
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-fluoro-5-(3-fluoro-4-pyridinyl)benzamide
CID 169419498
3-(3-cyano-2-pyridinyl)-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 169415366
(2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide
CID 136580567
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 70716419
trans-(1R,2R)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 138008683
3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide
CID 100680232
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50971649
2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 91772485

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide (CID 170510905) is 3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide is COc1nc(C)cc(C)c1CNC(=O)c1cc(F)cc(-c2nccnc2C#N)c1.
What is the InChIKey of 3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide?
The InChIKey is FZJIZPCLTJIHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-12-6-13(2)27-21(29-3)17(12)11-26-20(28)15-7-14(8-16(22)9-15)19-18(10-23)24-4-5-25-19/h4-9H,11H2,1-3H3,(H,26,28).
What are the key properties of 3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide?
3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide has a molecular weight of 391.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanopyrazin-2-yl)-5-fluoro-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 170510905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).