1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C14H18F3N3O3 — CID 17459092

IUPAC1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)C(C)NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C14H18F3N3O3/c1-7(2)8(3)19-11(21)6-20-10(14(15,16)17)5-4-9(12(18)22)13(20)23/h4-5,7-8H,6H2,1-3H3,(H2,18,22)(H,19,21)
InChIKeyYRTBIWZUZFWIMD-UHFFFAOYSA-N
MW333.31 g/mol
LogP1.13
Rot. Bonds5

About 1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 17459092) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID17459092
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)C(C)NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C14H18F3N3O3/c1-7(2)8(3)19-11(21)6-20-10(14(15,16)17)5-4-9(12(18)22)13(20)23/h4-5,7-8H,6H2,1-3H3,(H2,18,22)(H,19,21)
InChIKeyYRTBIWZUZFWIMD-UHFFFAOYSA-N
XLogP1.13
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 51090986
2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide
CID 71971522
6-methyl-N-[2-(methylamino)-2-oxoethyl]-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 72047422
6-(Difluoromethyl)-N-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828239
N,1-dimethyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 68491556
6-Fluoro-1-(2-methylpropyl)-3-(propan-2-ylamino)pyridin-2-one
CID 153486265
N-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155571765
3-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]butanamide
CID 170583199
1-ethyl-N-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 172376787
2-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 175834576
1-[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 17444493
1-[2-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 17472912

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 17459092) is 1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)C(C)NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O.
What is the InChIKey of 1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is YRTBIWZUZFWIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-7(2)8(3)19-11(21)6-20-10(14(15,16)17)5-4-9(12(18)22)13(20)23/h4-5,7-8H,6H2,1-3H3,(H2,18,22)(H,19,21).
What are the key properties of 1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 333.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 17459092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).