N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide

C11H12F3N3O2 — CID 108934864

IUPACN-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide
SMILESO=C(NCCCNC(=O)C(F)(F)F)c1ccncc1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)10(19)17-5-1-4-16-9(18)8-2-6-15-7-3-8/h2-3,6-7H,1,4-5H2,(H,16,18)(H,17,19)
InChIKeyYNRQJDDYNSQKOX-UHFFFAOYSA-N
MW275.23 g/mol
LogP0.88
Rot. Bonds5

About N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide

N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide (PubChem CID 108934864) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide
PubChem CID108934864
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC NameN-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide
SMILESO=C(NCCCNC(=O)C(F)(F)F)c1ccncc1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)10(19)17-5-1-4-16-9(18)8-2-6-15-7-3-8/h2-3,6-7H,1,4-5H2,(H,16,18)(H,17,19)
InChIKeyYNRQJDDYNSQKOX-UHFFFAOYSA-N
XLogP0.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934829
4-(aminomethyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 82097400
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
N-butylpyridine-4-carboxamide
CID 5030535
tert-butyl N-[3-(pyridine-4-carbonylamino)propyl]carbamate
CID 18510355
N-pentylpyridine-4-carboxamide
CID 2307296
3-(pyridine-4-carbonylamino)propyl hydrogen carbonate
CID 130453907
N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide
CID 571551
N-hexylpyridine-4-carboxamide
CID 3423732
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384
N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 47337075

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide (CID 108934864) is N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide is O=C(NCCCNC(=O)C(F)(F)F)c1ccncc1.
What is the InChIKey of N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide?
The InChIKey is YNRQJDDYNSQKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)10(19)17-5-1-4-16-9(18)8-2-6-15-7-3-8/h2-3,6-7H,1,4-5H2,(H,16,18)(H,17,19).
What are the key properties of N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide?
N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide has a molecular weight of 275.23 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 108934864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).