2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide

C18H19F3N4O — CID 122318276

IUPAC2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
SMILESCc1cc(N2CCCCC2)nc(CNC(=O)c2ccc(F)c(F)c2F)n1
InChIInChI=1S/C18H19F3N4O/c1-11-9-15(25-7-3-2-4-8-25)24-14(23-11)10-22-18(26)12-5-6-13(19)17(21)16(12)20/h5-6,9H,2-4,7-8,10H2,1H3,(H,22,26)
InChIKeyXDTVGDQFZVKUEP-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.12
Rot. Bonds4

About 2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide

2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide (PubChem CID 122318276) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
PubChem CID122318276
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
SMILESCc1cc(N2CCCCC2)nc(CNC(=O)c2ccc(F)c(F)c2F)n1
InChIInChI=1S/C18H19F3N4O/c1-11-9-15(25-7-3-2-4-8-25)24-14(23-11)10-22-18(26)12-5-6-13(19)17(21)16(12)20/h5-6,9H,2-4,7-8,10H2,1H3,(H,22,26)
InChIKeyXDTVGDQFZVKUEP-UHFFFAOYSA-N
XLogP3.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318167
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122317676
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 121137147
3-fluoro-4-methoxy-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122317873
1-(3-fluoro-4-methylphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318124
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]naphthalene-2-carboxamide
CID 122318067
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
CID 122254319
4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318023
(E)-3-(2,5-difluorophenyl)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122318327
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-(trifluoromethoxy)benzamide
CID 122317868
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122318073

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide (CID 122318276) is 2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide is Cc1cc(N2CCCCC2)nc(CNC(=O)c2ccc(F)c(F)c2F)n1.
What is the InChIKey of 2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The InChIKey is XDTVGDQFZVKUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-11-9-15(25-7-3-2-4-8-25)24-14(23-11)10-22-18(26)12-5-6-13(19)17(21)16(12)20/h5-6,9H,2-4,7-8,10H2,1H3,(H,22,26).
What are the key properties of 2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 364.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 122318276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).