3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide

C20H26FN5O — CID 122326507

IUPAC3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1nc(NCCNC(=O)c2ccc(C)c(F)c2)cc(N2CCCCC2)n1
InChIInChI=1S/C20H26FN5O/c1-14-6-7-16(12-17(14)21)20(27)23-9-8-22-18-13-19(25-15(2)24-18)26-10-4-3-5-11-26/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyLGDWCRSCBIUXJX-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.06
Rot. Bonds6

About 3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide

3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide (PubChem CID 122326507) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
PubChem CID122326507
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
SMILESCc1nc(NCCNC(=O)c2ccc(C)c(F)c2)cc(N2CCCCC2)n1
InChIInChI=1S/C20H26FN5O/c1-14-6-7-16(12-17(14)21)20(27)23-9-8-22-18-13-19(25-15(2)24-18)26-10-4-3-5-11-26/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyLGDWCRSCBIUXJX-UHFFFAOYSA-N
XLogP3.06
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56698960
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 122326277
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122326419
3-bromo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326664
3-(dimethylamino)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326481
4-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699188
3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122327988
3,4-difluoro-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 122294334
2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326666
4-chloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700161
3-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700196
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 121074644

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide (CID 122326507) is 3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide is Cc1nc(NCCNC(=O)c2ccc(C)c(F)c2)cc(N2CCCCC2)n1.
What is the InChIKey of 3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
The InChIKey is LGDWCRSCBIUXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-14-6-7-16(12-17(14)21)20(27)23-9-8-22-18-13-19(25-15(2)24-18)26-10-4-3-5-11-26/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,23,27)(H,22,24,25).
What are the key properties of 3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide?
3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide has a molecular weight of 371.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 122326507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).