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

C21H22F4N4O3 — CID 155883371

IUPACN-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(F)c(C2NC(=O)CC(c3ccc(OC(F)F)nc3)N2)c1F
InChIInChI=1S/C21H22F4N4O3/c1-10(2)20(31)27-9-12-3-5-13(22)17(18(12)23)19-28-14(7-15(30)29-19)11-4-6-16(26-8-11)32-21(24)25/h3-6,8,10,14,19,21,28H,7,9H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyRAGNXIBGDAFQBW-UHFFFAOYSA-N
MW454.42 g/mol
LogP3.08
Rot. Bonds7

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

N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide (PubChem CID 155883371) has the molecular formula C21H22F4N4O3 and a molecular weight of 454.42 g/mol. Its IUPAC name is N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide
PubChem CID155883371
Molecular FormulaC21H22F4N4O3
Molecular Weight454.42 g/mol
Exact Mass454.16
IUPAC NameN-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(F)c(C2NC(=O)CC(c3ccc(OC(F)F)nc3)N2)c1F
InChIInChI=1S/C21H22F4N4O3/c1-10(2)20(31)27-9-12-3-5-13(22)17(18(12)23)19-28-14(7-15(30)29-19)11-4-6-16(26-8-11)32-21(24)25/h3-6,8,10,14,19,21,28H,7,9H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyRAGNXIBGDAFQBW-UHFFFAOYSA-N
XLogP3.08
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.42
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide (CID 155883371) is N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1ccc(F)c(C2NC(=O)CC(c3ccc(OC(F)F)nc3)N2)c1F.
What is the InChIKey of N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide?
The InChIKey is RAGNXIBGDAFQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N4O3/c1-10(2)20(31)27-9-12-3-5-13(22)17(18(12)23)19-28-14(7-15(30)29-19)11-4-6-16(26-8-11)32-21(24)25/h3-6,8,10,14,19,21,28H,7,9H2,1-2H3,(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]-2,4-difluorophenyl]methyl]-2-methylpropanamide?
N-[[3-[4-[6-(difluoromethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2,4-difluorophenyl]methyl]-2-methylpropanamide has a molecular weight of 454.42 g/mol, XLogP of 3.08, 7 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]-2,4-difluorophenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 155883371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).