2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide

C12H15ClF3N3O — CID 71846757

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide
SMILESCCC(C)C(Nc1ncc(C(F)(F)F)cc1Cl)C(N)=O
InChIInChI=1S/C12H15ClF3N3O/c1-3-6(2)9(10(17)20)19-11-8(13)4-7(5-18-11)12(14,15)16/h4-6,9H,3H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyFIZHMUHFFHKYNE-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.07
Rot. Bonds5

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide (PubChem CID 71846757) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide
PubChem CID71846757
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide
SMILESCCC(C)C(Nc1ncc(C(F)(F)F)cc1Cl)C(N)=O
InChIInChI=1S/C12H15ClF3N3O/c1-3-6(2)9(10(17)20)19-11-8(13)4-7(5-18-11)12(14,15)16/h4-6,9H,3H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyFIZHMUHFFHKYNE-UHFFFAOYSA-N
XLogP3.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide (CID 71846757) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide is CCC(C)C(Nc1ncc(C(F)(F)F)cc1Cl)C(N)=O.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide?
The InChIKey is FIZHMUHFFHKYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-3-6(2)9(10(17)20)19-11-8(13)4-7(5-18-11)12(14,15)16/h4-6,9H,3H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide has a molecular weight of 309.72 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpentanamide is sourced from PubChem (CID 71846757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).