N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide

C31H28F3N5O5 — CID 25265014

About N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide

N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 25265014) has the molecular formula C31H28F3N5O5 and a molecular weight of 607.59 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide
• PubChem CID: 25265014
• Molecular Formula: C31H28F3N5O5
• Molecular Weight: 607.59 g/mol
• Exact Mass: 607.20
• IUPAC Name: N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide
• SMILES: Cn1cc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O
• InChI: InChI=1S/C31H28F3N5O5/c1-38-17-21(15-26(30(38)43)36-27-10-7-20(16-35-27)29(42)39-11-13-44-14-12-39)23-3-2-4-25(24(23)18-40)37-28(41)19-5-8-22(9-6-19)31(32,33)34/h2-10,15-17,40H,11-14,18H2,1H3,(H,35,36)(H,37,41)
• InChIKey: WGKAJJHJNCDXLJ-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 125.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.59
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide?

The IUPAC name of N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide (CID 25265014) is N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide?

The canonical SMILES for N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide is Cn1cc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.

What is the InChIKey of N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide?

The InChIKey is WGKAJJHJNCDXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F3N5O5/c1-38-17-21(15-26(30(38)43)36-27-10-7-20(16-35-27)29(42)39-11-13-44-14-12-39)23-3-2-4-25(24(23)18-40)37-28(41)19-5-8-22(9-6-19)31(32,33)34/h2-10,15-17,40H,11-14,18H2,1H3,(H,35,36)(H,37,41).

What are the key properties of N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide?

N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 607.59 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 25265014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).