1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide

C19H19F6N3O2 — CID 3780154

IUPAC1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C19H19F6N3O2/c1-27(2)7-5-26-16(29)15-4-3-6-28(17(15)30)11-12-8-13(18(20,21)22)10-14(9-12)19(23,24)25/h3-4,6,8-10H,5,7,11H2,1-2H3,(H,26,29)
InChIKeyQWPKOFHFHLFOCF-UHFFFAOYSA-N
MW435.37 g/mol
LogP3.23
Rot. Bonds6

About 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide (PubChem CID 3780154) has the molecular formula C19H19F6N3O2 and a molecular weight of 435.37 g/mol. Its IUPAC name is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide
PubChem CID3780154
Molecular FormulaC19H19F6N3O2
Molecular Weight435.37 g/mol
Exact Mass435.14
IUPAC Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C19H19F6N3O2/c1-27(2)7-5-26-16(29)15-4-3-6-28(17(15)30)11-12-8-13(18(20,21)22)10-14(9-12)19(23,24)25/h3-4,6,8-10H,5,7,11H2,1-2H3,(H,26,29)
InChIKeyQWPKOFHFHLFOCF-UHFFFAOYSA-N
XLogP3.23
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide (CID 3780154) is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide is CN(C)CCNC(=O)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is QWPKOFHFHLFOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6N3O2/c1-27(2)7-5-26-16(29)15-4-3-6-28(17(15)30)11-12-8-13(18(20,21)22)10-14(9-12)19(23,24)25/h3-4,6,8-10H,5,7,11H2,1-2H3,(H,26,29).
What are the key properties of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide?
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 435.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[2-(dimethylamino)ethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 3780154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).