2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide

C20H21F3N4O3 — CID 159993414

IUPAC2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
SMILESCCc1cc(CNC(=O)c2ccnc(CC(=O)C3CC3)n2)cnc1OCC(F)(F)F
InChIInChI=1S/C20H21F3N4O3/c1-2-13-7-12(10-26-19(13)30-11-20(21,22)23)9-25-18(29)15-5-6-24-17(27-15)8-16(28)14-3-4-14/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,25,29)
InChIKeyOHFVBJYNUQRNJC-UHFFFAOYSA-N
MW422.41 g/mol
LogP2.83
Rot. Bonds9

About 2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide

2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide (PubChem CID 159993414) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
PubChem CID159993414
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
SMILESCCc1cc(CNC(=O)c2ccnc(CC(=O)C3CC3)n2)cnc1OCC(F)(F)F
InChIInChI=1S/C20H21F3N4O3/c1-2-13-7-12(10-26-19(13)30-11-20(21,22)23)9-25-18(29)15-5-6-24-17(27-15)8-16(28)14-3-4-14/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,25,29)
InChIKeyOHFVBJYNUQRNJC-UHFFFAOYSA-N
XLogP2.83
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

2-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 174836388
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 161266007
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510188
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)-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
CID 157486902
N-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-6-methyl-2-(3-methyl-2-oxobutyl)pyrimidine-4-carboxamide
CID 158079738
2-(2-cyclopropyl-2-oxoethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 161458996
2-acetamido-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509489
N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-[(1-methylcyclopropanecarbonyl)amino]pyridine-4-carboxamide
CID 67509188
5-ethyl-N-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 161027033
N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-cyclopropyl-2-oxopropyl)-6-methylpyridine-4-carboxamide
CID 159507853
2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 158894130

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide (CID 159993414) is 2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide is CCc1cc(CNC(=O)c2ccnc(CC(=O)C3CC3)n2)cnc1OCC(F)(F)F.
What is the InChIKey of 2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide?
The InChIKey is OHFVBJYNUQRNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-2-13-7-12(10-26-19(13)30-11-20(21,22)23)9-25-18(29)15-5-6-24-17(27-15)8-16(28)14-3-4-14/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,25,29).
What are the key properties of 2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide?
2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-2-oxoethyl)-N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 159993414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).