(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C17H23FN4O2 — CID 100844968

IUPAC(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(F)cn2)CC1=O
InChIInChI=1S/C17H23FN4O2/c1-2-21-7-3-4-14(21)11-22-10-12(8-16(22)23)17(24)20-15-6-5-13(18)9-19-15/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,19,20,24)/t12-,14-/m0/s1
InChIKeyLHGSFHFBBJQTKT-JSGCOSHPSA-N
MW334.40 g/mol
LogP1.49
Rot. Bonds5

About (3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 100844968) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is (3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID100844968
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(F)cn2)CC1=O
InChIInChI=1S/C17H23FN4O2/c1-2-21-7-3-4-14(21)11-22-10-12(8-16(22)23)17(24)20-15-6-5-13(18)9-19-15/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,19,20,24)/t12-,14-/m0/s1
InChIKeyLHGSFHFBBJQTKT-JSGCOSHPSA-N
XLogP1.49
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124572012
(3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124572011
(3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 96533277
1-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500643
1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168695738
N-(3-amino-4-methoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119419140
(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124614714
N-[(2S)-1-aminopropan-2-yl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 120507176
N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119405501
(2S)-2-[[(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 125120295
(2S)-2-[[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119366459
1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride
CID 119560421

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 100844968) is (3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(F)cn2)CC1=O.
What is the InChIKey of (3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LHGSFHFBBJQTKT-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-2-21-7-3-4-14(21)11-22-10-12(8-16(22)23)17(24)20-15-6-5-13(18)9-19-15/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,19,20,24)/t12-,14-/m0/s1.
What are the key properties of (3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 100844968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).