2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid

C17H15FN2O5 — CID 141145339

IUPAC2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1C(CO)C1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C17H15FN2O5/c18-11-7-9(20-6-2-1-3-13(20)22)4-5-12(11)19-16(23)14-10(8-21)15(14)17(24)25/h1-7,10,14-15,21H,8H2,(H,19,23)(H,24,25)
InChIKeyKPOXHVPDDLIUKX-UHFFFAOYSA-N
MW346.31 g/mol
LogP0.85
Rot. Bonds5

About 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid

2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid (PubChem CID 141145339) has the molecular formula C17H15FN2O5 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
PubChem CID141145339
Molecular FormulaC17H15FN2O5
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1C(CO)C1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C17H15FN2O5/c18-11-7-9(20-6-2-1-3-13(20)22)4-5-12(11)19-16(23)14-10(8-21)15(14)17(24)25/h1-7,10,14-15,21H,8H2,(H,19,23)(H,24,25)
InChIKeyKPOXHVPDDLIUKX-UHFFFAOYSA-N
XLogP0.85
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2R,3R)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-[(4-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 68854744
trans-(1S,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid
CID 66882265
(1R,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1-carboxamide
CID 68687455
2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-prop-2-enoxycarbonylcyclopropane-1-carboxylic acid
CID 66880311
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclopropane-1,2-dicarboxamide
CID 66882286
(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide
CID 11677142
2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
CID 68647235
ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
CID 69114943
methyl (3R,4R)-1-(2,2-difluoroethyl)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
CID 59800165
dimethyl (E)-2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]but-2-enedioate
CID 168566903
(1S,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1-carboxamide
CID 68686790
(4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
CID 69109043

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid (CID 141145339) is 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid is O=C(O)C1C(CO)C1C(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid?
The InChIKey is KPOXHVPDDLIUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O5/c18-11-7-9(20-6-2-1-3-13(20)22)4-5-12(11)19-16(23)14-10(8-21)15(14)17(24)25/h1-7,10,14-15,21H,8H2,(H,19,23)(H,24,25).
What are the key properties of 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid?
2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid has a molecular weight of 346.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 141145339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).