3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide

C19H23FN4O — CID 124970354

IUPAC3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide
SMILESCc1ncc(CNC(=O)c2ccc(C)c(F)c2)c([C@H]2CCCN2C)n1
InChIInChI=1S/C19H23FN4O/c1-12-6-7-14(9-16(12)20)19(25)22-11-15-10-21-13(2)23-18(15)17-5-4-8-24(17)3/h6-7,9-10,17H,4-5,8,11H2,1-3H3,(H,22,25)/t17-/m1/s1
InChIKeyJPNPHTPVSGNAOV-QGZVFWFLSA-N
MW342.42 g/mol
LogP2.93
Rot. Bonds4

About 3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide

3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide (PubChem CID 124970354) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide
PubChem CID124970354
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide
SMILESCc1ncc(CNC(=O)c2ccc(C)c(F)c2)c([C@H]2CCCN2C)n1
InChIInChI=1S/C19H23FN4O/c1-12-6-7-14(9-16(12)20)19(25)22-11-15-10-21-13(2)23-18(15)17-5-4-8-24(17)3/h6-7,9-10,17H,4-5,8,11H2,1-3H3,(H,22,25)/t17-/m1/s1
InChIKeyJPNPHTPVSGNAOV-QGZVFWFLSA-N
XLogP2.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide (CID 124970354) is 3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide is Cc1ncc(CNC(=O)c2ccc(C)c(F)c2)c([C@H]2CCCN2C)n1.
What is the InChIKey of 3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide?
The InChIKey is JPNPHTPVSGNAOV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-12-6-7-14(9-16(12)20)19(25)22-11-15-10-21-13(2)23-18(15)17-5-4-8-24(17)3/h6-7,9-10,17H,4-5,8,11H2,1-3H3,(H,22,25)/t17-/m1/s1.
What are the key properties of 3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide?
3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide has a molecular weight of 342.42 g/mol, XLogP of 2.93, 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-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide is sourced from PubChem (CID 124970354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).