N-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C14H18F3N3O3 — CID 51090697

IUPACN-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H18F3N3O3/c1-3-20(4-2)11(21)7-8-18-12(22)9-5-6-10(14(15,16)17)19-13(9)23/h5-6H,3-4,7-8H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyOVKDBIGXKXVDBJ-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.38
Rot. Bonds6

About N-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 51090697) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is N-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID51090697
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC NameN-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H18F3N3O3/c1-3-20(4-2)11(21)7-8-18-12(22)9-5-6-10(14(15,16)17)19-13(9)23/h5-6H,3-4,7-8H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyOVKDBIGXKXVDBJ-UHFFFAOYSA-N
XLogP1.38
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 51090697) is N-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCN(CC)C(=O)CCNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is OVKDBIGXKXVDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-3-20(4-2)11(21)7-8-18-12(22)9-5-6-10(14(15,16)17)19-13(9)23/h5-6H,3-4,7-8H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 333.31 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-3-oxopropyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 51090697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).