1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide

C15H15F3N4O2 — CID 71796956

IUPAC1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)c2cccn(C)c2=O)n1
InChIInChI=1S/C15H15F3N4O2/c1-9-8-11(15(16,17)18)21-12(20-9)5-6-19-13(23)10-4-3-7-22(2)14(10)24/h3-4,7-8H,5-6H2,1-2H3,(H,19,23)
InChIKeyZUWLIVPFJOHYPB-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.48
Rot. Bonds4

About 1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide

1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide (PubChem CID 71796956) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide
PubChem CID71796956
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)c2cccn(C)c2=O)n1
InChIInChI=1S/C15H15F3N4O2/c1-9-8-11(15(16,17)18)21-12(20-9)5-6-19-13(23)10-4-3-7-22(2)14(10)24/h3-4,7-8H,5-6H2,1-2H3,(H,19,23)
InChIKeyZUWLIVPFJOHYPB-UHFFFAOYSA-N
XLogP1.48
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 41807771
1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47491854
2,2-dimethyl-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propanamide
CID 71796939
1-methyl-2-oxo-N-{2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl}-1,2-dihydropyridine-3-carboxamide
CID 71797111
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-4-(1-piperidinyl)butanamide
CID 72873319
5-(4-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazine-1-carbonyl)pyridin-2(1H)-one
CID 91631636
US10202360, Example 325
CID 132007799
2-[1-(3-methyl-2-buten-1-yl)-3-oxo-2-piperazinyl]-N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}acetamide
CID 45931370
1-allyl-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}-5-oxopyrrolidine-3-carboxamide
CID 50962559
2-hydroxy-4,6-dimethyl-N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}nicotinamide
CID 70773393
N-(2-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)cyclopropanecarboxamide
CID 71796936
N-{2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 71797042

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide (CID 71796956) is 1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cccn(C)c2=O)n1.
What is the InChIKey of 1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is ZUWLIVPFJOHYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-9-8-11(15(16,17)18)21-12(20-9)5-6-19-13(23)10-4-3-7-22(2)14(10)24/h3-4,7-8H,5-6H2,1-2H3,(H,19,23).
What are the key properties of 1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide?
1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71796956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).