N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide

C10H12F2N2O3 — CID 104857762

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC(F)(F)CO)cc1=O
InChIInChI=1S/C10H12F2N2O3/c1-14-3-2-7(4-8(14)16)9(17)13-5-10(11,12)6-15/h2-4,15H,5-6H2,1H3,(H,13,17)
InChIKeyDQGXPSURXVKEPN-UHFFFAOYSA-N
MW246.21 g/mol
LogP-0.26
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 104857762) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID104857762
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC(F)(F)CO)cc1=O
InChIInChI=1S/C10H12F2N2O3/c1-14-3-2-7(4-8(14)16)9(17)13-5-10(11,12)6-15/h2-4,15H,5-6H2,1H3,(H,13,17)
InChIKeyDQGXPSURXVKEPN-UHFFFAOYSA-N
XLogP-0.26
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103709300
1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide
CID 103713487
N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 111444713
N-(5-amino-2,2-dimethylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106140544
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
CID 38456683
N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 65314932
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113232055
N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide
CID 113462790
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103747290

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide (CID 104857762) is N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NCC(F)(F)CO)cc1=O.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is DQGXPSURXVKEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-14-3-2-7(4-8(14)16)9(17)13-5-10(11,12)6-15/h2-4,15H,5-6H2,1H3,(H,13,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 246.21 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 104857762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).