N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide

C16H19F3N4O2 — CID 174836552

IUPACN-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide
SMILESCC(=O)NC1N=CC=C(C)N1Cc1cnc(OCC(F)(F)F)c(C)c1
InChIInChI=1S/C16H19F3N4O2/c1-10-6-13(7-21-14(10)25-9-16(17,18)19)8-23-11(2)4-5-20-15(23)22-12(3)24/h4-7,15H,8-9H2,1-3H3,(H,22,24)
InChIKeyKJNWMGUKWCTEAI-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.54
Rot. Bonds5

About N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide

N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide (PubChem CID 174836552) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide
PubChem CID174836552
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC NameN-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide
SMILESCC(=O)NC1N=CC=C(C)N1Cc1cnc(OCC(F)(F)F)c(C)c1
InChIInChI=1S/C16H19F3N4O2/c1-10-6-13(7-21-14(10)25-9-16(17,18)19)8-23-11(2)4-5-20-15(23)22-12(3)24/h4-7,15H,8-9H2,1-3H3,(H,22,24)
InChIKeyKJNWMGUKWCTEAI-UHFFFAOYSA-N
XLogP2.54
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidine
CID 174836774
[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl carbamate
CID 175338177
N-methyl-2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide
CID 175291764
2-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3H-pyrazol-1-yl]acetamide
CID 175291778
N-[6-methyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 90119234
2-acetamido-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509489
3-methyl-5-[(1-methyl-3H-pyrazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine
CID 174765322
2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509894
N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 74539473
2-[[4-hydroxy-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177123
2-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 174836388
N-[2-[(2-hydroxy-2-methylpropanoyl)amino]ethyl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119186

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide?
The IUPAC name of N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide (CID 174836552) is N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide is CC(=O)NC1N=CC=C(C)N1Cc1cnc(OCC(F)(F)F)c(C)c1.
What is the InChIKey of N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide?
The InChIKey is KJNWMGUKWCTEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-10-6-13(7-21-14(10)25-9-16(17,18)19)8-23-11(2)4-5-20-15(23)22-12(3)24/h4-7,15H,8-9H2,1-3H3,(H,22,24).
What are the key properties of N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide?
N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide has a molecular weight of 356.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-1-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2H-pyrimidin-2-yl]acetamide is sourced from PubChem (CID 174836552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).