N-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide

C22H23F5N4O3 — CID 155883428

IUPACN-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(C(F)(F)F)c(C2NC(=O)CC(c3ccc(OC(F)F)cn3)N2)c1
InChIInChI=1S/C22H23F5N4O3/c1-11(2)20(33)29-9-12-3-5-15(22(25,26)27)14(7-12)19-30-17(8-18(32)31-19)16-6-4-13(10-28-16)34-21(23)24/h3-7,10-11,17,19,21,30H,8-9H2,1-2H3,(H,29,33)(H,31,32)
InChIKeyKSLAMQAERVROMS-UHFFFAOYSA-N
MW486.44 g/mol
LogP3.82
Rot. Bonds7

About N-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide

N-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide (PubChem CID 155883428) has the molecular formula C22H23F5N4O3 and a molecular weight of 486.44 g/mol. Its IUPAC name is N-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
PubChem CID155883428
Molecular FormulaC22H23F5N4O3
Molecular Weight486.44 g/mol
Exact Mass486.17
IUPAC NameN-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(C(F)(F)F)c(C2NC(=O)CC(c3ccc(OC(F)F)cn3)N2)c1
InChIInChI=1S/C22H23F5N4O3/c1-11(2)20(33)29-9-12-3-5-15(22(25,26)27)14(7-12)19-30-17(8-18(32)31-19)16-6-4-13(10-28-16)34-21(23)24/h3-7,10-11,17,19,21,30H,8-9H2,1-2H3,(H,29,33)(H,31,32)
InChIKeyKSLAMQAERVROMS-UHFFFAOYSA-N
XLogP3.82
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.44
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]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-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide (CID 155883428) is N-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1ccc(C(F)(F)F)c(C2NC(=O)CC(c3ccc(OC(F)F)cn3)N2)c1.
What is the InChIKey of N-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide?
The InChIKey is KSLAMQAERVROMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F5N4O3/c1-11(2)20(33)29-9-12-3-5-15(22(25,26)27)14(7-12)19-30-17(8-18(32)31-19)16-6-4-13(10-28-16)34-21(23)24/h3-7,10-11,17,19,21,30H,8-9H2,1-2H3,(H,29,33)(H,31,32).
What are the key properties of N-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide?
N-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide has a molecular weight of 486.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[5-(difluoromethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 155883428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).