4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide

C16H17F3N4O2 — CID 70773393

IUPAC4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)c2c(C)cc(C)[nH]c2=O)n1
InChIInChI=1S/C16H17F3N4O2/c1-8-6-9(2)22-15(25)13(8)14(24)20-5-4-12-21-10(3)7-11(23-12)16(17,18)19/h6-7H,4-5H2,1-3H3,(H,20,24)(H,22,25)
InChIKeyVZPDTSOQRIYFRY-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.08
Rot. Bonds4

About 4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide

4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 70773393) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID70773393
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)c2c(C)cc(C)[nH]c2=O)n1
InChIInChI=1S/C16H17F3N4O2/c1-8-6-9(2)22-15(25)13(8)14(24)20-5-4-12-21-10(3)7-11(23-12)16(17,18)19/h6-7H,4-5H2,1-3H3,(H,20,24)(H,22,25)
InChIKeyVZPDTSOQRIYFRY-UHFFFAOYSA-N
XLogP2.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 70773393) is 4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)c2c(C)cc(C)[nH]c2=O)n1.
What is the InChIKey of 4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VZPDTSOQRIYFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-8-6-9(2)22-15(25)13(8)14(24)20-5-4-12-21-10(3)7-11(23-12)16(17,18)19/h6-7H,4-5H2,1-3H3,(H,20,24)(H,22,25).
What are the key properties of 4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70773393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).