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

C25H29F3N4O3 — CID 155883430

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

N-[[3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide (PubChem CID 155883430) has the molecular formula C25H29F3N4O3 and a molecular weight of 490.53 g/mol. Its IUPAC name is N-[[3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[[3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
• PubChem CID: 155883430
• Molecular Formula: C25H29F3N4O3
• Molecular Weight: 490.53 g/mol
• Exact Mass: 490.22
• IUPAC Name: N-[[3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)NCc1ccc(C(F)(F)F)c(C2NC(=O)CC(c3ccc(OCC4CC4)cn3)N2)c1
• InChI: InChI=1S/C25H29F3N4O3/c1-14(2)24(34)30-11-16-5-7-19(25(26,27)28)18(9-16)23-31-21(10-22(33)32-23)20-8-6-17(12-29-20)35-13-15-3-4-15/h5-9,12,14-15,21,23,31H,3-4,10-11,13H2,1-2H3,(H,30,34)(H,32,33)
• InChIKey: RALHWSZNPRYLDT-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 92.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.53
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide?

The IUPAC name of N-[[3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide (CID 155883430) is N-[[3-[4-[5-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide?

The canonical SMILES for N-[[3-[4-[5-(cyclopropylmethoxy)-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(OCC4CC4)cn3)N2)c1.

What is the InChIKey of N-[[3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide?

The InChIKey is RALHWSZNPRYLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O3/c1-14(2)24(34)30-11-16-5-7-19(25(26,27)28)18(9-16)23-31-21(10-22(33)32-23)20-8-6-17(12-29-20)35-13-15-3-4-15/h5-9,12,14-15,21,23,31H,3-4,10-11,13H2,1-2H3,(H,30,34)(H,32,33).

What are the key properties of N-[[3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide?

N-[[3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide has a molecular weight of 490.53 g/mol, XLogP of 4.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-4-(trifluoromethyl)phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 155883430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).