2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide

C20H22F3N3O3 — CID 86890232

IUPAC2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C20H22F3N3O3/c1-13-16(8-9-17(25-13)19(28)26(2)3)18(27)24-10-14-4-6-15(7-5-14)11-29-12-20(21,22)23/h4-9H,10-12H2,1-3H3,(H,24,27)
InChIKeyYWTVEVSNFQTHRV-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.10
Rot. Bonds7

About 2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide

2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide (PubChem CID 86890232) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide
PubChem CID86890232
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC Name2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C20H22F3N3O3/c1-13-16(8-9-17(25-13)19(28)26(2)3)18(27)24-10-14-4-6-15(7-5-14)11-29-12-20(21,22)23/h4-9H,10-12H2,1-3H3,(H,24,27)
InChIKeyYWTVEVSNFQTHRV-UHFFFAOYSA-N
XLogP3.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide with MolForge

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Related Compounds

5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86890470
5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891532
1-(4-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 30767998
2-N,2-N,6-trimethyl-5-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-2,5-dicarboxamide
CID 86891529
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide
CID 26063547
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 46576739
2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
CID 55890647
2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 24599022
1-[(2-methylphenyl)methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24612899
N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 55595384
2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 171924976
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide (CID 86890232) is 2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide is Cc1nc(C(=O)N(C)C)ccc1C(=O)NCc1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide?
The InChIKey is YWTVEVSNFQTHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-13-16(8-9-17(25-13)19(28)26(2)3)18(27)24-10-14-4-6-15(7-5-14)11-29-12-20(21,22)23/h4-9H,10-12H2,1-3H3,(H,24,27).
What are the key properties of 2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide?
2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide has a molecular weight of 409.41 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 86890232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).