[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone

C16H17FN4O2 — CID 124892533

IUPAC[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCCc1ncnc(O[C@H]2CCN(C(=O)c3ccccn3)C2)c1F
InChIInChI=1S/C16H17FN4O2/c1-2-12-14(17)15(20-10-19-12)23-11-6-8-21(9-11)16(22)13-5-3-4-7-18-13/h3-5,7,10-11H,2,6,8-9H2,1H3/t11-/m0/s1
InChIKeyRYLBGFXMWLVLAS-NSHDSACASA-N
MW316.34 g/mol
LogP1.87
Rot. Bonds4

About [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone

[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 124892533) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID124892533
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCCc1ncnc(O[C@H]2CCN(C(=O)c3ccccn3)C2)c1F
InChIInChI=1S/C16H17FN4O2/c1-2-12-14(17)15(20-10-19-12)23-11-6-8-21(9-11)16(22)13-5-3-4-7-18-13/h3-5,7,10-11H,2,6,8-9H2,1H3/t11-/m0/s1
InChIKeyRYLBGFXMWLVLAS-NSHDSACASA-N
XLogP1.87
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
CID 118613068
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3R)-oxolan-3-yl]oxypyridine-2-carboxamide
CID 118613145
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S)-oxolan-3-yl]oxypyridine-2-carboxamide
CID 118613167
Pyrimidine-4-carboxamide, 87
CID 44520956
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5R)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
CID 155522099
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxolan-2-ylmethoxy)pyridine-2-carboxamide
CID 118612903
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3R,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
CID 118613071
4-cyclopentyloxy-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 118613132
(3-((3-(3,6-Dihydro-2H-pyran-4-YL)pyridin-2-YL)oxy)azetidin-1-YL)(pyrimidin-4-YL)methanone
CID 58547745
((2S*,3R*)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)(3-(pyrimidin-2-yl)pyridin-2-yl)methanone
CID 117631072
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
CID 155540022
N-methyl-4-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenoxy]pyridine-2-carboxamide
CID 164618873

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 124892533) is [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone is CCc1ncnc(O[C@H]2CCN(C(=O)c3ccccn3)C2)c1F.
What is the InChIKey of [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is RYLBGFXMWLVLAS-NSHDSACASA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-2-12-14(17)15(20-10-19-12)23-11-6-8-21(9-11)16(22)13-5-3-4-7-18-13/h3-5,7,10-11H,2,6,8-9H2,1H3/t11-/m0/s1.
What are the key properties of [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 316.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 124892533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).