1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide

C21H22F2N4O2 — CID 55979557

IUPAC1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1N1CCCCC1)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C21H22F2N4O2/c22-15-6-7-18(16(23)12-15)27-13-14(11-19(27)28)21(29)25-17-5-4-8-24-20(17)26-9-2-1-3-10-26/h4-8,12,14H,1-3,9-11,13H2,(H,25,29)
InChIKeyBBLAVLBQILZXTR-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.34
Rot. Bonds4

About 1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide

1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 55979557) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID55979557
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC Name1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1N1CCCCC1)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C21H22F2N4O2/c22-15-6-7-18(16(23)12-15)27-13-14(11-19(27)28)21(29)25-17-5-4-8-24-20(17)26-9-2-1-3-10-26/h4-8,12,14H,1-3,9-11,13H2,(H,25,29)
InChIKeyBBLAVLBQILZXTR-UHFFFAOYSA-N
XLogP3.34
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42957217
1-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55618657
1-(2,4-difluorophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113190668
(3R)-1-(2,4-difluorophenyl)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95139491
N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
CID 55616843
1-(2,4-difluorophenyl)-5-oxo-N-[2-(2-phenylethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55675244
(3S)-1-(2,4-difluorophenyl)-5-oxo-N-(2-pyridin-2-ylsulfanyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 95350696
1-(2,4-difluorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 55616171
N-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55616772
N-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192355
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191025

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide (CID 55979557) is 1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide is O=C(Nc1cccnc1N1CCCCC1)C1CC(=O)N(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is BBLAVLBQILZXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c22-15-6-7-18(16(23)12-15)27-13-14(11-19(27)28)21(29)25-17-5-4-8-24-20(17)26-9-2-1-3-10-26/h4-8,12,14H,1-3,9-11,13H2,(H,25,29).
What are the key properties of 1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-oxo-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55979557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).