N-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol

C20H25F3N2O2 — CID 91334790

IUPACN-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol
SMILESCC(O)C(F)(F)F.Cc1nc(C)c(C(=O)NCc2ccccc2)c(C)c1C
InChIInChI=1S/C17H20N2O.C3H5F3O/c1-11-12(2)16(14(4)19-13(11)3)17(20)18-10-15-8-6-5-7-9-15;1-2(7)3(4,5)6/h5-9H,10H2,1-4H3,(H,18,20);2,7H,1H3
InChIKeyIKWSYJMBDPOXMW-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.17
Rot. Bonds3

About N-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol

N-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol (PubChem CID 91334790) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is N-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound NameN-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol
PubChem CID91334790
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC NameN-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol
SMILESCC(O)C(F)(F)F.Cc1nc(C)c(C(=O)NCc2ccccc2)c(C)c1C
InChIInChI=1S/C17H20N2O.C3H5F3O/c1-11-12(2)16(14(4)19-13(11)3)17(20)18-10-15-8-6-5-7-9-15;1-2(7)3(4,5)6/h5-9H,10H2,1-4H3,(H,18,20);2,7H,1H3
InChIKeyIKWSYJMBDPOXMW-UHFFFAOYSA-N
XLogP4.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9046354
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CID 91573654
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 130158705
N-benzyl-2,3-dimethylpyridine-4-carboxamide
CID 110850641
N-benzyl-2-(2-hydroxypropyl)-6-phenylbenzamide
CID 23344318
N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760258
4-[[(2,6-dimethylbenzoyl)amino]methyl]benzoic acid
CID 103925447
2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 36607768
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol?
The IUPAC name of N-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol (CID 91334790) is N-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for N-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol?
The canonical SMILES for N-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol is CC(O)C(F)(F)F.Cc1nc(C)c(C(=O)NCc2ccccc2)c(C)c1C.
What is the InChIKey of N-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol?
The InChIKey is IKWSYJMBDPOXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.C3H5F3O/c1-11-12(2)16(14(4)19-13(11)3)17(20)18-10-15-8-6-5-7-9-15;1-2(7)3(4,5)6/h5-9H,10H2,1-4H3,(H,18,20);2,7H,1H3.
What are the key properties of N-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol?
N-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol has a molecular weight of 382.43 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4,5,6-tetramethylpyridine-3-carboxamide;1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 91334790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).