N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide

C14H12F3N3O — CID 144826593

IUPACN-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide
SMILESCc1cc(-c2ccc(C(F)(F)F)nc2)cc(CNC=O)n1
InChIInChI=1S/C14H12F3N3O/c1-9-4-11(5-12(20-9)7-18-8-21)10-2-3-13(19-6-10)14(15,16)17/h2-6,8H,7H2,1H3,(H,18,21)
InChIKeyKRKJPQCVNKTUEO-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.72
Rot. Bonds4

About N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide

N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide (PubChem CID 144826593) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide.

Molecular Properties

Compound NameN-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide
PubChem CID144826593
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide
SMILESCc1cc(-c2ccc(C(F)(F)F)nc2)cc(CNC=O)n1
InChIInChI=1S/C14H12F3N3O/c1-9-4-11(5-12(20-9)7-18-8-21)10-2-3-13(19-6-10)14(15,16)17/h2-6,8H,7H2,1H3,(H,18,21)
InChIKeyKRKJPQCVNKTUEO-UHFFFAOYSA-N
XLogP2.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide
CID 144826742
ethane;1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine;N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide
CID 144826750
N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]formamide
CID 144611139
3-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbaldehyde
CID 88932534
N-[[(3Z)-2-fluoro-7-[6-(trifluoromethyl)-3-pyridinyl]cycloocta-1,3,7-trien-1-yl]methyl]formamide
CID 174010715
N-tert-butyl-2-[2-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 25098003
ethane;5-(1-ethyl-5-methylpyrazol-3-yl)-2-(trifluoromethyl)pyridine
CID 177229845
5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637957
[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 118008047
[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methanamine
CID 118222664
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122354035
5-pyridin-4-yl-2-(trifluoromethyl)pyridine
CID 46316298

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide?
The IUPAC name of N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide (CID 144826593) is N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide.
What is the SMILES notation for N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide?
The canonical SMILES for N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide is Cc1cc(-c2ccc(C(F)(F)F)nc2)cc(CNC=O)n1.
What is the InChIKey of N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide?
The InChIKey is KRKJPQCVNKTUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-9-4-11(5-12(20-9)7-18-8-21)10-2-3-13(19-6-10)14(15,16)17/h2-6,8H,7H2,1H3,(H,18,21).
What are the key properties of N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide?
N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide has a molecular weight of 295.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide is sourced from PubChem (CID 144826593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).