N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide

C22H25F3N4O3 — CID 155883281

IUPACN-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(F)c(C2NC(=O)CC(c3ccc(OC(F)F)nc3)N2)c1
InChIInChI=1S/C22H25F3N4O3/c1-22(2,3)20(31)27-10-12-4-6-15(23)14(8-12)19-28-16(9-17(30)29-19)13-5-7-18(26-11-13)32-21(24)25/h4-8,11,16,19,21,28H,9-10H2,1-3H3,(H,27,31)(H,29,30)
InChIKeyFOIHWOJMZSMXAI-UHFFFAOYSA-N
MW450.46 g/mol
LogP3.33
Rot. Bonds6

About N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide

N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 155883281) has the molecular formula C22H25F3N4O3 and a molecular weight of 450.46 g/mol. Its IUPAC name is N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide
PubChem CID155883281
Molecular FormulaC22H25F3N4O3
Molecular Weight450.46 g/mol
Exact Mass450.19
IUPAC NameN-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(F)c(C2NC(=O)CC(c3ccc(OC(F)F)nc3)N2)c1
InChIInChI=1S/C22H25F3N4O3/c1-22(2,3)20(31)27-10-12-4-6-15(23)14(8-12)19-28-16(9-17(30)29-19)13-5-7-18(26-11-13)32-21(24)25/h4-8,11,16,19,21,28H,9-10H2,1-3H3,(H,27,31)(H,29,30)
InChIKeyFOIHWOJMZSMXAI-UHFFFAOYSA-N
XLogP3.33
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide (CID 155883281) is N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1ccc(F)c(C2NC(=O)CC(c3ccc(OC(F)F)nc3)N2)c1.
What is the InChIKey of N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is FOIHWOJMZSMXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O3/c1-22(2,3)20(31)27-10-12-4-6-15(23)14(8-12)19-28-16(9-17(30)29-19)13-5-7-18(26-11-13)32-21(24)25/h4-8,11,16,19,21,28H,9-10H2,1-3H3,(H,27,31)(H,29,30).
What are the key properties of N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide?
N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 450.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-fluorophenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 155883281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).