6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide

C11H12F3N3O3 — CID 56721171

IUPAC6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C11H12F3N3O3/c1-6-2-3-7(9(19)17-6)8(18)15-4-5-16-10(20)11(12,13)14/h2-3H,4-5H2,1H3,(H,15,18)(H,16,20)(H,17,19)
InChIKeyURIBPMKCHWDKMF-UHFFFAOYSA-N
MW291.23 g/mol
LogP0.09
Rot. Bonds4

About 6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide

6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide (PubChem CID 56721171) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide
PubChem CID56721171
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Name6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C11H12F3N3O3/c1-6-2-3-7(9(19)17-6)8(18)15-4-5-16-10(20)11(12,13)14/h2-3H,4-5H2,1H3,(H,15,18)(H,16,20)(H,17,19)
InChIKeyURIBPMKCHWDKMF-UHFFFAOYSA-N
XLogP0.09
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide (CID 56721171) is 6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is URIBPMKCHWDKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c1-6-2-3-7(9(19)17-6)8(18)15-4-5-16-10(20)11(12,13)14/h2-3H,4-5H2,1H3,(H,15,18)(H,16,20)(H,17,19).
What are the key properties of 6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide?
6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 291.23 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56721171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).