2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide

C20H24FN5O2 — CID 71807414

IUPAC2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1cc(N2CCCC2)nc(CNC(=O)CN(C)C(=O)c2ccccc2F)n1
InChIInChI=1S/C20H24FN5O2/c1-14-11-18(26-9-5-6-10-26)24-17(23-14)12-22-19(27)13-25(2)20(28)15-7-3-4-8-16(15)21/h3-4,7-8,11H,5-6,9-10,12-13H2,1-2H3,(H,22,27)
InChIKeyFUIOFPLLSHQELR-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.91
Rot. Bonds6

About 2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide

2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 71807414) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide
PubChem CID71807414
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1cc(N2CCCC2)nc(CNC(=O)CN(C)C(=O)c2ccccc2F)n1
InChIInChI=1S/C20H24FN5O2/c1-14-11-18(26-9-5-6-10-26)24-17(23-14)12-22-19(27)13-25(2)20(28)15-7-3-4-8-16(15)21/h3-4,7-8,11H,5-6,9-10,12-13H2,1-2H3,(H,22,27)
InChIKeyFUIOFPLLSHQELR-UHFFFAOYSA-N
XLogP1.91
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide (CID 71807414) is 2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide is Cc1cc(N2CCCC2)nc(CNC(=O)CN(C)C(=O)c2ccccc2F)n1.
What is the InChIKey of 2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is FUIOFPLLSHQELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-14-11-18(26-9-5-6-10-26)24-17(23-14)12-22-19(27)13-25(2)20(28)15-7-3-4-8-16(15)21/h3-4,7-8,11H,5-6,9-10,12-13H2,1-2H3,(H,22,27).
What are the key properties of 2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide?
2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 385.44 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 71807414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).