1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

C20H23FN4O2 — CID 163063879

IUPAC1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)C(c1ccccc1F)N1CCCC1C(=O)NCc1ccncc1
InChIInChI=1S/C20H23FN4O2/c1-22-20(27)18(15-5-2-3-6-16(15)21)25-12-4-7-17(25)19(26)24-13-14-8-10-23-11-9-14/h2-3,5-6,8-11,17-18H,4,7,12-13H2,1H3,(H,22,27)(H,24,26)
InChIKeyCRZDGJWLWNXBAI-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.79
Rot. Bonds6

About 1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 163063879) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID163063879
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)C(c1ccccc1F)N1CCCC1C(=O)NCc1ccncc1
InChIInChI=1S/C20H23FN4O2/c1-22-20(27)18(15-5-2-3-6-16(15)21)25-12-4-7-17(25)19(26)24-13-14-8-10-23-11-9-14/h2-3,5-6,8-11,17-18H,4,7,12-13H2,1H3,(H,22,27)(H,24,26)
InChIKeyCRZDGJWLWNXBAI-UHFFFAOYSA-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

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Related Compounds

(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 75529661
(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-prop-2-enylpyrrolidine-2-carboxamide;hydrochloride
CID 146119422
(2S)-N-cyclopentyl-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 75411442
N-benzyl-1-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 163049279
(2S)-N-benzyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 75529687
(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 75529697
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 10178068
2-(2-fluorophenyl)-3-hydroxy-N-(pyridin-4-ylmethyl)propanamide
CID 155040333
(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 75411518
methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110754462
1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 110687261
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (CID 163063879) is 1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is CNC(=O)C(c1ccccc1F)N1CCCC1C(=O)NCc1ccncc1.
What is the InChIKey of 1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is CRZDGJWLWNXBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-22-20(27)18(15-5-2-3-6-16(15)21)25-12-4-7-17(25)19(26)24-13-14-8-10-23-11-9-14/h2-3,5-6,8-11,17-18H,4,7,12-13H2,1H3,(H,22,27)(H,24,26).
What are the key properties of 1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-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 1-[1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 163063879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).