1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C17H24F3N3O3 — CID 17484987

IUPAC1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCN(C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O)C(C)CC
InChIInChI=1S/C17H24F3N3O3/c1-4-6-9-22(11(3)5-2)14(24)10-23-13(17(18,19)20)8-7-12(15(21)25)16(23)26/h7-8,11H,4-6,9-10H2,1-3H3,(H2,21,25)
InChIKeyCTQJBFSKEDVPFB-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.39
Rot. Bonds8

About 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 17484987) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID17484987
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC Name1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCN(C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O)C(C)CC
InChIInChI=1S/C17H24F3N3O3/c1-4-6-9-22(11(3)5-2)14(24)10-23-13(17(18,19)20)8-7-12(15(21)25)16(23)26/h7-8,11H,4-6,9-10H2,1-3H3,(H2,21,25)
InChIKeyCTQJBFSKEDVPFB-UHFFFAOYSA-N
XLogP2.39
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 17484987) is 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is CCCCN(C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O)C(C)CC.
What is the InChIKey of 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CTQJBFSKEDVPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c1-4-6-9-22(11(3)5-2)14(24)10-23-13(17(18,19)20)8-7-12(15(21)25)16(23)26/h7-8,11H,4-6,9-10H2,1-3H3,(H2,21,25).
What are the key properties of 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 17484987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).