N-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide

C19H21FN4O3 — CID 124727920

IUPACN-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESCCc1ncnc(O[C@H]2CCN(C(=O)CNC(=O)c3ccccc3)C2)c1F
InChIInChI=1S/C19H21FN4O3/c1-2-15-17(20)19(23-12-22-15)27-14-8-9-24(11-14)16(25)10-21-18(26)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,21,26)/t14-/m0/s1
InChIKeyVYQSFBWACZIITA-AWEZNQCLSA-N
MW372.40 g/mol
LogP1.59
Rot. Bonds6

About N-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide

N-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 124727920) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide
PubChem CID124727920
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESCCc1ncnc(O[C@H]2CCN(C(=O)CNC(=O)c3ccccc3)C2)c1F
InChIInChI=1S/C19H21FN4O3/c1-2-15-17(20)19(23-12-22-15)27-14-8-9-24(11-14)16(25)10-21-18(26)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,21,26)/t14-/m0/s1
InChIKeyVYQSFBWACZIITA-AWEZNQCLSA-N
XLogP1.59
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 129355507
1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 121017693
1-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyrrol-1-ylethanone
CID 129354811
1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-methoxyethanone
CID 91815903
ethyl (3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 124891806
2-cyclopentylsulfanyl-1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]ethanone
CID 119100438
1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 129355599
2-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121017722
3-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 119100452
1-[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 124892590
1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 121017707
[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 129356131

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide (CID 124727920) is N-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide is CCc1ncnc(O[C@H]2CCN(C(=O)CNC(=O)c3ccccc3)C2)c1F.
What is the InChIKey of N-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is VYQSFBWACZIITA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-2-15-17(20)19(23-12-22-15)27-14-8-9-24(11-14)16(25)10-21-18(26)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,21,26)/t14-/m0/s1.
What are the key properties of N-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 372.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 124727920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).