N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide

C12H16F3N3O — CID 114072681

IUPACN-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide
SMILESCC(C)(C)NC(=O)CCNc1nc(F)c(F)cc1F
InChIInChI=1S/C12H16F3N3O/c1-12(2,3)18-9(19)4-5-16-11-8(14)6-7(13)10(15)17-11/h6H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeySTOJPOYVRSTPSU-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.22
Rot. Bonds4

About N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide

N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide (PubChem CID 114072681) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide
PubChem CID114072681
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide
SMILESCC(C)(C)NC(=O)CCNc1nc(F)c(F)cc1F
InChIInChI=1S/C12H16F3N3O/c1-12(2,3)18-9(19)4-5-16-11-8(14)6-7(13)10(15)17-11/h6H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeySTOJPOYVRSTPSU-UHFFFAOYSA-N
XLogP2.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide
CID 114072648
N-tert-butyl-3-(4-fluoroanilino)propanamide
CID 109031342
N-tert-butyl-3-(2,6-difluoro-4-nitroanilino)propanamide
CID 103828577
N-tert-butyl-3-(4-methylanilino)propanamide
CID 109031320
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 113411173
N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide
CID 113410956
N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide
CID 112700846
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide
CID 115609101
N-tert-butyl-3-(3-chloroanilino)propanamide
CID 109031344
N-[3-(tert-butylamino)-3-oxopropyl]-2-fluoro-5-methylbenzamide
CID 115609087
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide
CID 115609152
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 113435949

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide (CID 114072681) is N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide is CC(C)(C)NC(=O)CCNc1nc(F)c(F)cc1F.
What is the InChIKey of N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide?
The InChIKey is STOJPOYVRSTPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-12(2,3)18-9(19)4-5-16-11-8(14)6-7(13)10(15)17-11/h6H,4-5H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide?
N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide has a molecular weight of 275.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 114072681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).