5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide

C17H16F2N2O3 — CID 126794671

IUPAC5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1OCC1CCCO1)c1ccc(F)cn1
InChIInChI=1S/C17H16F2N2O3/c18-11-4-6-16(24-10-13-2-1-7-23-13)15(8-11)21-17(22)14-5-3-12(19)9-20-14/h3-6,8-9,13H,1-2,7,10H2,(H,21,22)
InChIKeyAEEYETPJTKFAEC-UHFFFAOYSA-N
MW334.32 g/mol
LogP3.17
Rot. Bonds5

About 5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide

5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 126794671) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
PubChem CID126794671
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1OCC1CCCO1)c1ccc(F)cn1
InChIInChI=1S/C17H16F2N2O3/c18-11-4-6-16(24-10-13-2-1-7-23-13)15(8-11)21-17(22)14-5-3-12(19)9-20-14/h3-6,8-9,13H,1-2,7,10H2,(H,21,22)
InChIKeyAEEYETPJTKFAEC-UHFFFAOYSA-N
XLogP3.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119125471
N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide
CID 95330766
2-(aminomethyl)-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779493
1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95334266
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 56783381
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
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 95616102
2-[5-fluoro-2-(oxolan-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609356
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 56783386

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide (CID 126794671) is 5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide is O=C(Nc1cc(F)ccc1OCC1CCCO1)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is AEEYETPJTKFAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c18-11-4-6-16(24-10-13-2-1-7-23-13)15(8-11)21-17(22)14-5-3-12(19)9-20-14/h3-6,8-9,13H,1-2,7,10H2,(H,21,22).
What are the key properties of 5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide?
5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 334.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 126794671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).