N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide

C34H35N5O6 — CID 25265442

About N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide

N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide (PubChem CID 25265442) has the molecular formula C34H35N5O6 and a molecular weight of 609.68 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]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide
• PubChem CID: 25265442
• Molecular Formula: C34H35N5O6
• Molecular Weight: 609.68 g/mol
• Exact Mass: 609.26
• IUPAC Name: N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide
• SMILES: Cn1cc(-c2cccc(NC(=O)c3ccc4c(c3)OCC4(C)C)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O
• InChI: InChI=1S/C34H35N5O6/c1-34(2)20-45-29-16-21(7-9-26(29)34)31(41)37-27-6-4-5-24(25(27)19-40)23-15-28(33(43)38(3)18-23)36-30-10-8-22(17-35-30)32(42)39-11-13-44-14-12-39/h4-10,15-18,40H,11-14,19-20H2,1-3H3,(H,35,36)(H,37,41)
• InChIKey: XIXUAYCXOBDMRL-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 135.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.68
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide?

The IUPAC name of N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide (CID 25265442) is N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide.

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]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide?

The canonical SMILES for N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide is Cn1cc(-c2cccc(NC(=O)c3ccc4c(c3)OCC4(C)C)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]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide?

The InChIKey is XIXUAYCXOBDMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N5O6/c1-34(2)20-45-29-16-21(7-9-26(29)34)31(41)37-27-6-4-5-24(25(27)19-40)23-15-28(33(43)38(3)18-23)36-30-10-8-22(17-35-30)32(42)39-11-13-44-14-12-39/h4-10,15-18,40H,11-14,19-20H2,1-3H3,(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]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide?

N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide has a molecular weight of 609.68 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 9 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]-3,3-dimethyl-2H-1-benzofuran-6-carboxamide is sourced from PubChem (CID 25265442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).