N-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C16H14ClF3N2O2 — CID 24613456

IUPACN-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF3N2O2/c1-2-12(9-3-5-10(17)6-4-9)21-14(23)11-7-8-13(16(18,19)20)22-15(11)24/h3-8,12H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyPQTQKOICYULXPV-UHFFFAOYSA-N
MW358.75 g/mol
LogP3.93
Rot. Bonds4

About N-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 24613456) has the molecular formula C16H14ClF3N2O2 and a molecular weight of 358.75 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID24613456
Molecular FormulaC16H14ClF3N2O2
Molecular Weight358.75 g/mol
Exact Mass358.07
IUPAC NameN-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF3N2O2/c1-2-12(9-3-5-10(17)6-4-9)21-14(23)11-7-8-13(16(18,19)20)22-15(11)24/h3-8,12H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyPQTQKOICYULXPV-UHFFFAOYSA-N
XLogP3.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 24613456) is N-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is PQTQKOICYULXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O2/c1-2-12(9-3-5-10(17)6-4-9)21-14(23)11-7-8-13(16(18,19)20)22-15(11)24/h3-8,12H,2H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 358.75 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 24613456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).