N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide

C13H15F6N3O — CID 1208092

IUPACN-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide
SMILESCCC(=O)NC(Nc1cc(C)cc(C)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H15F6N3O/c1-4-10(23)22-11(12(14,15)16,13(17,18)19)21-9-6-7(2)5-8(3)20-9/h5-6H,4H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyZPRFXZHLKQVOAC-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.46
Rot. Bonds4

About N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide

N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide (PubChem CID 1208092) has the molecular formula C13H15F6N3O and a molecular weight of 343.27 g/mol. Its IUPAC name is N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide
PubChem CID1208092
Molecular FormulaC13H15F6N3O
Molecular Weight343.27 g/mol
Exact Mass343.11
IUPAC NameN-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide
SMILESCCC(=O)NC(Nc1cc(C)cc(C)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H15F6N3O/c1-4-10(23)22-11(12(14,15)16,13(17,18)19)21-9-6-7(2)5-8(3)20-9/h5-6H,4H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyZPRFXZHLKQVOAC-UHFFFAOYSA-N
XLogP3.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide?
The IUPAC name of N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide (CID 1208092) is N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide.
What is the SMILES notation for N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide?
The canonical SMILES for N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide is CCC(=O)NC(Nc1cc(C)cc(C)n1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide?
The InChIKey is ZPRFXZHLKQVOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6N3O/c1-4-10(23)22-11(12(14,15)16,13(17,18)19)21-9-6-7(2)5-8(3)20-9/h5-6H,4H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide?
N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide has a molecular weight of 343.27 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]propanamide is sourced from PubChem (CID 1208092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).