N-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide

C12H15F3N2O — CID 169111334

IUPACN-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide
SMILESCCCCN(C=O)Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2O/c1-2-3-6-17(9-18)8-11-5-4-10(7-16-11)12(13,14)15/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyOHMZVJCSUDPSAD-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.86
Rot. Bonds6

About N-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide

N-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide (PubChem CID 169111334) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide.

Molecular Properties

Compound NameN-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide
PubChem CID169111334
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide
SMILESCCCCN(C=O)Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2O/c1-2-3-6-17(9-18)8-11-5-4-10(7-16-11)12(13,14)15/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyOHMZVJCSUDPSAD-UHFFFAOYSA-N
XLogP2.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide
CID 171823264
N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 115622395
1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol
CID 63201095
1,1-dimethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 171822832
1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201539
N'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
CID 169111998
4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-one
CID 12035528
2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine
CID 118329262
N-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine
CID 63392079
[5-(trifluoromethyl)-2-pyridinyl]methanol sulfate
CID 18983902
2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal
CID 174326305
N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine
CID 114908451

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide?
The IUPAC name of N-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide (CID 169111334) is N-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide.
What is the SMILES notation for N-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide?
The canonical SMILES for N-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide is CCCCN(C=O)Cc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide?
The InChIKey is OHMZVJCSUDPSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-3-6-17(9-18)8-11-5-4-10(7-16-11)12(13,14)15/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of N-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide?
N-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide has a molecular weight of 260.26 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide is sourced from PubChem (CID 169111334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).