5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid

C18H17FN2O5 — CID 119125471

IUPAC5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1cc(F)ccc1OCC1CCCO1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C18H17FN2O5/c19-12-4-6-16(26-10-13-2-1-7-25-13)15(8-12)21-17(22)11-3-5-14(18(23)24)20-9-11/h3-6,8-9,13H,1-2,7,10H2,(H,21,22)(H,23,24)
InChIKeyXUFCESIKHFTFAO-UHFFFAOYSA-N
MW360.34 g/mol
LogP2.73
Rot. Bonds6

About 5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid

5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119125471) has the molecular formula C18H17FN2O5 and a molecular weight of 360.34 g/mol. Its IUPAC name is 5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119125471
Molecular FormulaC18H17FN2O5
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1cc(F)ccc1OCC1CCCO1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C18H17FN2O5/c19-12-4-6-16(26-10-13-2-1-7-25-13)15(8-12)21-17(22)11-3-5-14(18(23)24)20-9-11/h3-6,8-9,13H,1-2,7,10H2,(H,21,22)(H,23,24)
InChIKeyXUFCESIKHFTFAO-UHFFFAOYSA-N
XLogP2.73
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671
N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide
CID 95330766
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95334266
2-(aminomethyl)-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779493
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 56783381
N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4877901
4-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119321173
3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide
CID 120500648
2-(cyclopropylmethyl)-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 126786138
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
3-[[5-fluoro-2-(oxolan-2-ylmethoxy)anilino]methyl]benzoic acid
CID 122029822

Frequently Asked Questions

What is the IUPAC name of 5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 119125471) is 5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid is O=C(Nc1cc(F)ccc1OCC1CCCO1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is XUFCESIKHFTFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O5/c19-12-4-6-16(26-10-13-2-1-7-25-13)15(8-12)21-17(22)11-3-5-14(18(23)24)20-9-11/h3-6,8-9,13H,1-2,7,10H2,(H,21,22)(H,23,24).
What are the key properties of 5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid?
5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 360.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119125471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).