3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide

C11H14F3N3O — CID 114176396

IUPAC3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide
SMILESCC(C)C(Nc1cc(C(F)(F)F)ccn1)C(N)=O
InChIInChI=1S/C11H14F3N3O/c1-6(2)9(10(15)18)17-8-5-7(3-4-16-8)11(12,13)14/h3-6,9H,1-2H3,(H2,15,18)(H,16,17)
InChIKeyKSMXTWQVACPDIK-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.02
Rot. Bonds4

About 3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide

3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide (PubChem CID 114176396) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide
PubChem CID114176396
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide
SMILESCC(C)C(Nc1cc(C(F)(F)F)ccn1)C(N)=O
InChIInChI=1S/C11H14F3N3O/c1-6(2)9(10(15)18)17-8-5-7(3-4-16-8)11(12,13)14/h3-6,9H,1-2H3,(H2,15,18)(H,16,17)
InChIKeyKSMXTWQVACPDIK-UHFFFAOYSA-N
XLogP2.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 66328053
4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 103736616
2-[(2-hydrazinyl-4-pyridinyl)amino]-3-methylbutanamide
CID 106347658
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-(trifluoromethyl)benzoic acid
CID 106345777
N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328268
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
3-methyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]butanamide
CID 103801562
1-(1,1-dimethoxypropan-2-yl)-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]urea;1-(1,1-dimethoxypropan-2-yl)-1-methylurea
CID 122604759
2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide
CID 86785699
N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66331036
N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66331013
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide?
The IUPAC name of 3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide (CID 114176396) is 3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide.
What is the SMILES notation for 3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide?
The canonical SMILES for 3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide is CC(C)C(Nc1cc(C(F)(F)F)ccn1)C(N)=O.
What is the InChIKey of 3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide?
The InChIKey is KSMXTWQVACPDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-6(2)9(10(15)18)17-8-5-7(3-4-16-8)11(12,13)14/h3-6,9H,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide?
3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide has a molecular weight of 261.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide is sourced from PubChem (CID 114176396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).