N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide

C20H23F3N4O4 — CID 158079738

IUPACN-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C)nc(CC(=O)C(C)C)n2)cnc1OCC(F)(F)F
InChIInChI=1S/C20H23F3N4O4/c1-11(2)15(28)7-17-26-12(3)5-14(27-17)18(29)24-8-13-6-16(30-4)19(25-9-13)31-10-20(21,22)23/h5-6,9,11H,7-8,10H2,1-4H3,(H,24,29)
InChIKeyFMUOVIYHRKJHTF-UHFFFAOYSA-N
MW440.42 g/mol
LogP2.83
Rot. Bonds9

About N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide

N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide (PubChem CID 158079738) has the molecular formula C20H23F3N4O4 and a molecular weight of 440.42 g/mol. Its IUPAC name is N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide
PubChem CID158079738
Molecular FormulaC20H23F3N4O4
Molecular Weight440.42 g/mol
Exact Mass440.17
IUPAC NameN-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C)nc(CC(=O)C(C)C)n2)cnc1OCC(F)(F)F
InChIInChI=1S/C20H23F3N4O4/c1-11(2)15(28)7-17-26-12(3)5-14(27-17)18(29)24-8-13-6-16(30-4)19(25-9-13)31-10-20(21,22)23/h5-6,9,11H,7-8,10H2,1-4H3,(H,24,29)
InChIKeyFMUOVIYHRKJHTF-UHFFFAOYSA-N
XLogP2.83
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 147802395
2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 162566142
2-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 174836388
[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
CID 67509821
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 161266007
N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67509658
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67510976
2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 159993414
6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
CID 162043031
2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 147423680
N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide
CID 159507853
N-[1-[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]ethyl]-6-methyl-2-(propanoylamino)pyrimidine-4-carboxamide
CID 162566020

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide?
The IUPAC name of N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide (CID 158079738) is N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide is COc1cc(CNC(=O)c2cc(C)nc(CC(=O)C(C)C)n2)cnc1OCC(F)(F)F.
What is the InChIKey of N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide?
The InChIKey is FMUOVIYHRKJHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O4/c1-11(2)15(28)7-17-26-12(3)5-14(27-17)18(29)24-8-13-6-16(30-4)19(25-9-13)31-10-20(21,22)23/h5-6,9,11H,7-8,10H2,1-4H3,(H,24,29).
What are the key properties of N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide?
N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide has a molecular weight of 440.42 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 158079738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).