5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide

C16H21FN4O3 — CID 124609380

IUPAC5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cncc(F)c1
InChIInChI=1S/C16H21FN4O3/c17-13-7-12(9-18-10-13)16(23)19-14-8-15(22)21(11-14)2-1-20-3-5-24-6-4-20/h7,9-10,14H,1-6,8,11H2,(H,19,23)/t14-/m0/s1
InChIKeyQMCPCZWFRMDOAL-AWEZNQCLSA-N
MW336.37 g/mol
LogP-0.12
Rot. Bonds5

About 5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide

5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 124609380) has the molecular formula C16H21FN4O3 and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID124609380
Molecular FormulaC16H21FN4O3
Molecular Weight336.37 g/mol
Exact Mass336.16
IUPAC Name5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cncc(F)c1
InChIInChI=1S/C16H21FN4O3/c17-13-7-12(9-18-10-13)16(23)19-14-8-15(22)21(11-14)2-1-20-3-5-24-6-4-20/h7,9-10,14H,1-6,8,11H2,(H,19,23)/t14-/m0/s1
InChIKeyQMCPCZWFRMDOAL-AWEZNQCLSA-N
XLogP-0.12
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-5-fluoropyridine-3-carboxamide
CID 129381908
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 122246592
3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 132972010
2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 119890308
5-methoxy-1-methyl-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-4-oxopyridine-2-carboxamide
CID 166268176
5-N-cyclopentyl-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109102673
N-cycloheptyl-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 102253634
N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119890331
3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167895695
1-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119890286
2-(cyclopropylmethylamino)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 119890296
2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800841

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide (CID 124609380) is 5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is QMCPCZWFRMDOAL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21FN4O3/c17-13-7-12(9-18-10-13)16(23)19-14-8-15(22)21(11-14)2-1-20-3-5-24-6-4-20/h7,9-10,14H,1-6,8,11H2,(H,19,23)/t14-/m0/s1.
What are the key properties of 5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide?
5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 336.37 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 124609380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).