N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide

C18H23FN6O2 — CID 128993931

IUPACN-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)Cn2ccccc2=O)n1
InChIInChI=1S/C18H23FN6O2/c1-23(2)18-20-7-6-15(22-18)25-11-13(19)9-14(25)10-21-16(26)12-24-8-4-3-5-17(24)27/h3-8,13-14H,9-12H2,1-2H3,(H,21,26)/t13-,14-/m0/s1
InChIKeyNHYVXTQPFOZVGR-KBPBESRZSA-N
MW374.42 g/mol
LogP0.44
Rot. Bonds6

About N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide

N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 128993931) has the molecular formula C18H23FN6O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID128993931
Molecular FormulaC18H23FN6O2
Molecular Weight374.42 g/mol
Exact Mass374.19
IUPAC NameN-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)Cn2ccccc2=O)n1
InChIInChI=1S/C18H23FN6O2/c1-23(2)18-20-7-6-15(22-18)25-11-13(19)9-14(25)10-21-16(26)12-24-8-4-3-5-17(24)27/h3-8,13-14H,9-12H2,1-2H3,(H,21,26)/t13-,14-/m0/s1
InChIKeyNHYVXTQPFOZVGR-KBPBESRZSA-N
XLogP0.44
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide (CID 128993931) is N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide is CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)Cn2ccccc2=O)n1.
What is the InChIKey of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is NHYVXTQPFOZVGR-KBPBESRZSA-N. The full InChI is InChI=1S/C18H23FN6O2/c1-23(2)18-20-7-6-15(22-18)25-11-13(19)9-14(25)10-21-16(26)12-24-8-4-3-5-17(24)27/h3-8,13-14H,9-12H2,1-2H3,(H,21,26)/t13-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 374.42 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 128993931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).