N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C15H14F2N2O3 — CID 94623859

IUPACN-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C15H14F2N2O3/c1-9(8-22-13-5-4-10(16)7-12(13)17)19-15(21)11-3-2-6-18-14(11)20/h2-7,9H,8H2,1H3,(H,18,20)(H,19,21)/t9-/m0/s1
InChIKeySEHUVMRQRQONQC-VIFPVBQESA-N
MW308.28 g/mol
LogP1.85
Rot. Bonds5

About N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 94623859) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID94623859
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC NameN-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C15H14F2N2O3/c1-9(8-22-13-5-4-10(16)7-12(13)17)19-15(21)11-3-2-6-18-14(11)20/h2-7,9H,8H2,1H3,(H,18,20)(H,19,21)/t9-/m0/s1
InChIKeySEHUVMRQRQONQC-VIFPVBQESA-N
XLogP1.85
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90577578
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617
1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197746
N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742775
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119299969
2-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpentanamide;hydrochloride
CID 119742779
N'-[2-(2-fluorophenoxy)propanoyl]-2-oxo-1H-pyridine-3-carbohydrazide
CID 17499092
1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119299978
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119299977
N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide
CID 99784636
(2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624769

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 94623859) is N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is C[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SEHUVMRQRQONQC-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14F2N2O3/c1-9(8-22-13-5-4-10(16)7-12(13)17)19-15(21)11-3-2-6-18-14(11)20/h2-7,9H,8H2,1H3,(H,18,20)(H,19,21)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 308.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 94623859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).