6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid

C17H17F4N3O5 — CID 158741537

IUPAC6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCC(C)NC(=O)c1ccc(C(F)F)[nH]c1=O.O=C(O)c1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C10H12F2N2O2.C7H5F2NO3/c1-5(2)13-9(15)6-3-4-7(8(11)12)14-10(6)16;8-5(9)4-2-1-3(7(12)13)6(11)10-4/h3-5,8H,1-2H3,(H,13,15)(H,14,16);1-2,5H,(H,10,11)(H,12,13)
InChIKeyIMIYRPMSEWIWKD-UHFFFAOYSA-N
MW419.33 g/mol
LogP2.46
Rot. Bonds5

About 6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid

6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 158741537) has the molecular formula C17H17F4N3O5 and a molecular weight of 419.33 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID158741537
Molecular FormulaC17H17F4N3O5
Molecular Weight419.33 g/mol
Exact Mass419.11
IUPAC Name6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCC(C)NC(=O)c1ccc(C(F)F)[nH]c1=O.O=C(O)c1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C10H12F2N2O2.C7H5F2NO3/c1-5(2)13-9(15)6-3-4-7(8(11)12)14-10(6)16;8-5(9)4-2-1-3(7(12)13)6(11)10-4/h3-5,8H,1-2H3,(H,13,15)(H,14,16);1-2,5H,(H,10,11)(H,12,13)
InChIKeyIMIYRPMSEWIWKD-UHFFFAOYSA-N
XLogP2.46
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 155571812
N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 171444803
6-(4-chlorophenyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
CID 66497750
methyl 2-[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093219
N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 97005058
N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 51591493
(3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 126434441
6-(difluoromethyl)-2-oxo-N-(9H-thioxanthen-9-yl)-1H-pyridine-3-carboxamide
CID 155571835
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43170817
N-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 156605806
N-[(1R)-1-cyclopropylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 33044492
6-(ethylcarbamoyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 13216296

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 158741537) is 6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid is CC(C)NC(=O)c1ccc(C(F)F)[nH]c1=O.O=C(O)c1ccc(C(F)F)[nH]c1=O.
What is the InChIKey of 6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is IMIYRPMSEWIWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2.C7H5F2NO3/c1-5(2)13-9(15)6-3-4-7(8(11)12)14-10(6)16;8-5(9)4-2-1-3(7(12)13)6(11)10-4/h3-5,8H,1-2H3,(H,13,15)(H,14,16);1-2,5H,(H,10,11)(H,12,13).
What are the key properties of 6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 419.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 158741537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).