N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C10H11F3N2O3 — CID 43417634

IUPACN-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCCO)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)7-3-2-6(9(18)15-7)8(17)14-4-1-5-16/h2-3,16H,1,4-5H2,(H,14,17)(H,15,18)
InChIKeyMLNSKVADAKLJKB-UHFFFAOYSA-N
MW264.20 g/mol
LogP0.51
Rot. Bonds4

About N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 43417634) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID43417634
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC NameN-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCCO)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)7-3-2-6(9(18)15-7)8(17)14-4-1-5-16/h2-3,16H,1,4-5H2,(H,14,17)(H,15,18)
InChIKeyMLNSKVADAKLJKB-UHFFFAOYSA-N
XLogP0.51
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 50.51
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 N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 43417634) is N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCCCO)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is MLNSKVADAKLJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c11-10(12,13)7-3-2-6(9(18)15-7)8(17)14-4-1-5-16/h2-3,16H,1,4-5H2,(H,14,17)(H,15,18).
What are the key properties of N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 264.20 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43417634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).