N,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide

C14H16F3N3O — CID 143533773

IUPACN,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide
SMILESC/N=C(/C=C(\C)c1cccc(C(=O)N(C)C)n1)C(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-9(8-12(18-2)14(15,16)17)10-6-5-7-11(19-10)13(21)20(3)4/h5-8H,1-4H3/b9-8+,18-12-
InChIKeyFRWYFIJZQFFCQS-CGXKGLEISA-N
MW299.30 g/mol
LogP2.82
Rot. Bonds3

About N,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide

N,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide (PubChem CID 143533773) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide
PubChem CID143533773
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide
SMILESC/N=C(/C=C(\C)c1cccc(C(=O)N(C)C)n1)C(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-9(8-12(18-2)14(15,16)17)10-6-5-7-11(19-10)13(21)20(3)4/h5-8H,1-4H3/b9-8+,18-12-
InChIKeyFRWYFIJZQFFCQS-CGXKGLEISA-N
XLogP2.82
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N,6-N,6-N-tetramethylpyridine-2,6-dicarboxamide
CID 10955130
6-[(E)-7,7-difluoro-6-methylimino-7-phosphanylhept-2-en-2-yl]-N,N-dimethylpyridine-2-carboxamide;1,1,1-trifluoropropane
CID 143534067
N,N-dimethyl-3-[N-methyl-C-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbonimidoyl]benzamide;2-methylpropane
CID 143533975
6-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide
CID 59410646
N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 143232156
6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid
CID 131581629
6-(2,4-difluorophenyl)-N,N-dimethylpyridine-2-carboxamide
CID 77083219
N,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 118088044
6-[4-(hydroxymethyl)phenyl]-N,N-dimethylpyridine-2-carboxamide
CID 77085004
N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane
CID 143534019
6-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-dimethylpyridine-2-carboxamide
CID 77097135
N,N-dimethyl-6-[3-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyridin-6-yl]pyridine-2-carboxamide
CID 143533790

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide (CID 143533773) is N,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide is C/N=C(/C=C(\C)c1cccc(C(=O)N(C)C)n1)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide?
The InChIKey is FRWYFIJZQFFCQS-CGXKGLEISA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-9(8-12(18-2)14(15,16)17)10-6-5-7-11(19-10)13(21)20(3)4/h5-8H,1-4H3/b9-8+,18-12-.
What are the key properties of N,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide?
N,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide has a molecular weight of 299.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 143533773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).