N,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C11H13F3N2O4 — CID 61234168

IUPACN,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N(CCO)CCO
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)8-2-1-7(9(19)15-8)10(20)16(3-5-17)4-6-18/h1-2,17-18H,3-6H2,(H,15,19)
InChIKeyIXFVZPNRUVNASW-UHFFFAOYSA-N
MW294.23 g/mol
LogP-0.18
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 61234168) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID61234168
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC NameN,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(C(F)(F)F)[nH]c1=O)N(CCO)CCO
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)8-2-1-7(9(19)15-8)10(20)16(3-5-17)4-6-18/h1-2,17-18H,3-6H2,(H,15,19)
InChIKeyIXFVZPNRUVNASW-UHFFFAOYSA-N
XLogP-0.18
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 61234168) is N,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(c1ccc(C(F)(F)F)[nH]c1=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is IXFVZPNRUVNASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c12-11(13,14)8-2-1-7(9(19)15-8)10(20)16(3-5-17)4-6-18/h1-2,17-18H,3-6H2,(H,15,19).
What are the key properties of N,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 294.23 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 61234168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).