N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide

C13H15F3N4O — CID 78965975

IUPACN-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H15F3N4O/c1-12(2,3)20-10(21)7-18-11-8(6-17)4-5-9(19-11)13(14,15)16/h4-5H,7H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyYCJMMGQURKYIDD-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.30
Rot. Bonds3

About N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide

N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide (PubChem CID 78965975) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide
PubChem CID78965975
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC NameN-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H15F3N4O/c1-12(2,3)20-10(21)7-18-11-8(6-17)4-5-9(19-11)13(14,15)16/h4-5H,7H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyYCJMMGQURKYIDD-UHFFFAOYSA-N
XLogP2.30
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 78966293
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
N-tert-butyl-2-[(4-cyanopyridazin-3-yl)amino]acetamide
CID 115356285
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966408
4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutanoic acid
CID 80539504
2-(3-methylbut-2-enylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103525261
2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877007
N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide
CID 79834245
2-[(4-methoxy-2,2-dimethylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 104624076
2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 79868853
2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide
CID 103766928
2-[(1-hydroxycyclobutyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115629510

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide (CID 78965975) is N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide is CC(C)(C)NC(=O)CNc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide?
The InChIKey is YCJMMGQURKYIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-12(2,3)20-10(21)7-18-11-8(6-17)4-5-9(19-11)13(14,15)16/h4-5H,7H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide?
N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide has a molecular weight of 300.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide is sourced from PubChem (CID 78965975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).