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

C21H19F3N4O3 — CID 172674309

IUPAC1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1ccccc1-n1ccc(C)c(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)c1=O
InChIInChI=1S/C21H19F3N4O3/c1-12-8-9-28(14-6-4-5-7-15(14)31-3)20(30)18(12)19(29)25-11-17-26-13(2)10-16(27-17)21(22,23)24/h4-10H,11H2,1-3H3,(H,25,29)
InChIKeyPYDBNDVFERXDAS-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.20
Rot. Bonds5

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

1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 172674309) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide
PubChem CID172674309
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Name1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1ccccc1-n1ccc(C)c(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)c1=O
InChIInChI=1S/C21H19F3N4O3/c1-12-8-9-28(14-6-4-5-7-15(14)31-3)20(30)18(12)19(29)25-11-17-26-13(2)10-16(27-17)21(22,23)24/h4-10H,11H2,1-3H3,(H,25,29)
InChIKeyPYDBNDVFERXDAS-UHFFFAOYSA-N
XLogP3.20
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172666735
1-(2-methoxyphenyl)-4-methyl-2-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-carboxamide
CID 172669693
2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide
CID 71796955
N-[2-(2-hydroxyethyl)phenyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172672235
1-(2-methoxyphenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-2-oxopyridine-3-carboxamide
CID 172658075
N-(3-acetamido-4-fluorophenyl)-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 175645549
methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate
CID 172656047
3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide
CID 119074684
1-(2,3-dihydro-1H-inden-4-yl)-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172658005
1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 172661925
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide
CID 91966955
2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131895376

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide (CID 172674309) is 1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide is COc1ccccc1-n1ccc(C)c(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)c1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is PYDBNDVFERXDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-12-8-9-28(14-6-4-5-7-15(14)31-3)20(30)18(12)19(29)25-11-17-26-13(2)10-16(27-17)21(22,23)24/h4-10H,11H2,1-3H3,(H,25,29).
What are the key properties of 1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide?
1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 432.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-methyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172674309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).