2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid

C19H24FN3O5 — CID 126721588

IUPAC2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid
SMILESCOc1nc(C=C2CCOCC2)c(F)cc1CNC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C19H24FN3O5/c1-27-18-13(11-21-17(24)16-3-2-6-23(16)19(25)26)10-14(20)15(22-18)9-12-4-7-28-8-5-12/h9-10,16H,2-8,11H2,1H3,(H,21,24)(H,25,26)
InChIKeyRQTKZWOONVOQKY-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.18
Rot. Bonds5

About 2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid

2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 126721588) has the molecular formula C19H24FN3O5 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID126721588
Molecular FormulaC19H24FN3O5
Molecular Weight393.42 g/mol
Exact Mass393.17
IUPAC Name2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid
SMILESCOc1nc(C=C2CCOCC2)c(F)cc1CNC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C19H24FN3O5/c1-27-18-13(11-21-17(24)16-3-2-6-23(16)19(25)26)10-14(20)15(22-18)9-12-4-7-28-8-5-12/h9-10,16H,2-8,11H2,1H3,(H,21,24)(H,25,26)
InChIKeyRQTKZWOONVOQKY-UHFFFAOYSA-N
XLogP2.18
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-fluoro-4-hydroxy-2-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 135337735
tert-butyl (2S)-2-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 126721614
tert-butyl 2-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 126721892
tert-butyl (2S)-2-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 126721893
(2S)-N-[[6-[[(1R)-3,3-difluorocyclopentyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 126721865
1-butyl-N-[[5-fluoro-2-methoxy-6-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126722045
methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110754462
(2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 126721985
1-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 47162787
(2S,4R)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]-1,4-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 126721502
2-[2-[(2,6-difluorophenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 67810813
(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)methylcarbamic acid
CID 126721663

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid (CID 126721588) is 2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid is COc1nc(C=C2CCOCC2)c(F)cc1CNC(=O)C1CCCN1C(=O)O.
What is the InChIKey of 2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is RQTKZWOONVOQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O5/c1-27-18-13(11-21-17(24)16-3-2-6-23(16)19(25)26)10-14(20)15(22-18)9-12-4-7-28-8-5-12/h9-10,16H,2-8,11H2,1H3,(H,21,24)(H,25,26).
What are the key properties of 2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid?
2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 393.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-methoxy-6-(oxan-4-ylidenemethyl)-3-pyridinyl]methylcarbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 126721588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).