N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide

C9H10F2N2O3 — CID 103770044

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H10F2N2O3/c10-8(11)6(14)4-13-9(16)5-1-2-12-7(15)3-5/h1-3,6,8,14H,4H2,(H,12,15)(H,13,16)
InChIKeyNDFXGHGAHOVFIR-UHFFFAOYSA-N
MW232.19 g/mol
LogP-0.27
Rot. Bonds4

About N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103770044) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103770044
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C9H10F2N2O3/c10-8(11)6(14)4-13-9(16)5-1-2-12-7(15)3-5/h1-3,6,8,14H,4H2,(H,12,15)(H,13,16)
InChIKeyNDFXGHGAHOVFIR-UHFFFAOYSA-N
XLogP-0.27
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 164642588
N-(2-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43418289
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 54877498
1-[3-(Ethylamino)-2-hydroxypropyl]-5-(trifluoromethyl)pyridin-2-one
CID 55171096
1-(3-Amino-2-hydroxypropyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279951
1-[2-Hydroxy-3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279952
1-[3-(Cyclopropylamino)-2-hydroxypropyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279994
1-[2-Hydroxy-3-(propan-2-ylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279995
1-[2-Hydroxy-3-(propylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280037
N-(2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 78845446
1-[3-(Ethylamino)-2-hydroxypropyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319992
1-[2-Hydroxy-3-(methylamino)propyl]-6-(trifluoromethyl)pyridin-2-one
CID 81320105

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide (CID 103770044) is N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide is O=C(NCC(O)C(F)F)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is NDFXGHGAHOVFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c10-8(11)6(14)4-13-9(16)5-1-2-12-7(15)3-5/h1-3,6,8,14H,4H2,(H,12,15)(H,13,16).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 232.19 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103770044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).