N-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C22H19FN4O3 — CID 155909966

IUPACN-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1Oc1ccc(F)cc1)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C22H19FN4O3/c23-17-5-7-18(8-6-17)30-22-19(4-2-10-25-22)26-21(29)16-11-20(28)27(14-16)13-15-3-1-9-24-12-15/h1-10,12,16H,11,13-14H2,(H,26,29)
InChIKeyLRGKCSFNXVVAGI-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.40
Rot. Bonds6

About N-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

N-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 155909966) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID155909966
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC NameN-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1Oc1ccc(F)cc1)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C22H19FN4O3/c23-17-5-7-18(8-6-17)30-22-19(4-2-10-25-22)26-21(29)16-11-20(28)27(14-16)13-15-3-1-9-24-12-15/h1-10,12,16H,11,13-14H2,(H,26,29)
InChIKeyLRGKCSFNXVVAGI-UHFFFAOYSA-N
XLogP3.40
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 113184040
(3R)-1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40625044
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 165117378
N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 113184031
(3S)-5-oxo-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 51589061
(3S)-1-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767596
N-(oxan-4-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72863497
(3S)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 95199237
(3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 95199236
5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 56705212
N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183565

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 155909966) is N-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is O=C(Nc1cccnc1Oc1ccc(F)cc1)C1CC(=O)N(Cc2cccnc2)C1.
What is the InChIKey of N-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is LRGKCSFNXVVAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c23-17-5-7-18(8-6-17)30-22-19(4-2-10-25-22)26-21(29)16-11-20(28)27(14-16)13-15-3-1-9-24-12-15/h1-10,12,16H,11,13-14H2,(H,26,29).
What are the key properties of N-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
N-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)-3-pyridinyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155909966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).