N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C13H12F2N4O4 — CID 56824296

IUPACN-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)Nc2ncccc2OC(F)F)c1=O
InChIInChI=1S/C13H12F2N4O4/c1-18-10(21)4-6-19(13(18)22)7-9(20)17-11-8(23-12(14)15)3-2-5-16-11/h2-6,12H,7H2,1H3,(H,16,17,20)
InChIKeyMWZNRFNAAQBLQZ-UHFFFAOYSA-N
MW326.26 g/mol
LogP0.18
Rot. Bonds5

About N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 56824296) has the molecular formula C13H12F2N4O4 and a molecular weight of 326.26 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID56824296
Molecular FormulaC13H12F2N4O4
Molecular Weight326.26 g/mol
Exact Mass326.08
IUPAC NameN-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)Nc2ncccc2OC(F)F)c1=O
InChIInChI=1S/C13H12F2N4O4/c1-18-10(21)4-6-19(13(18)22)7-9(20)17-11-8(23-12(14)15)3-2-5-16-11/h2-6,12H,7H2,1H3,(H,16,17,20)
InChIKeyMWZNRFNAAQBLQZ-UHFFFAOYSA-N
XLogP0.18
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 51083821
methyl 4-[[3-(difluoromethoxy)-2-pyridinyl]carbamoyl]benzoate
CID 56824300
N-[(1S)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 34443252
N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 34443247
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914909
N-(2-amino-2-oxoethoxy)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 112550431
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 39890263
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]acetamide
CID 38618836
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 60521657
N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 75518287
(2S)-3-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 61137273
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 39934079

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 56824296) is N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cn1c(=O)ccn(CC(=O)Nc2ncccc2OC(F)F)c1=O.
What is the InChIKey of N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is MWZNRFNAAQBLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O4/c1-18-10(21)4-6-19(13(18)22)7-9(20)17-11-8(23-12(14)15)3-2-5-16-11/h2-6,12H,7H2,1H3,(H,16,17,20).
What are the key properties of N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 326.26 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 56824296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).