(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C20H23FN4O2 — CID 75411453

IUPAC(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NCc1cccnc1
InChIInChI=1S/C20H23FN4O2/c1-22-20(27)18(15-7-2-3-8-16(15)21)25-11-5-9-17(25)19(26)24-13-14-6-4-10-23-12-14/h2-4,6-8,10,12,17-18H,5,9,11,13H2,1H3,(H,22,27)(H,24,26)/t17-,18+/m0/s1
InChIKeyIAQOVIDNMPDBOJ-ZWKOTPCHSA-N
MW370.43 g/mol
LogP1.79
Rot. Bonds6

About (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 75411453) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID75411453
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NCc1cccnc1
InChIInChI=1S/C20H23FN4O2/c1-22-20(27)18(15-7-2-3-8-16(15)21)25-11-5-9-17(25)19(26)24-13-14-6-4-10-23-12-14/h2-4,6-8,10,12,17-18H,5,9,11,13H2,1H3,(H,22,27)(H,24,26)/t17-,18+/m0/s1
InChIKeyIAQOVIDNMPDBOJ-ZWKOTPCHSA-N
XLogP1.79
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

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CID 854019
(+-)-Cotinine
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CR665
CID 25030387
(4R)-1-[(3-methyl-4-pyridinyl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
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Demethylcotinine
CID 92223
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(pyridin-4-yl)phenyl]ethyl]amino}pentanamide
CID 10194354
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4-[4-(pyridin-4-yl)phenyl]phenyl}ethyl]amino}pentanamide
CID 23648309
R-(+)-Cotinine
CID 21907

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 75411453) is (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)NCc1cccnc1.
What is the InChIKey of (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is IAQOVIDNMPDBOJ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-22-20(27)18(15-7-2-3-8-16(15)21)25-11-5-9-17(25)19(26)24-13-14-6-4-10-23-12-14/h2-4,6-8,10,12,17-18H,5,9,11,13H2,1H3,(H,22,27)(H,24,26)/t17-,18+/m0/s1.
What are the key properties of (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).