5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide

C27H26ClN5O6 — CID 135205982

About 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide

5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 135205982) has the molecular formula C27H26ClN5O6 and a molecular weight of 551.99 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
• PubChem CID: 135205982
• Molecular Formula: C27H26ClN5O6
• Molecular Weight: 551.99 g/mol
• Exact Mass: 551.16
• IUPAC Name: 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)ccc3-c3cnco3)cc2=O)cn1
• InChI: InChI=1S/C27H26ClN5O6/c1-29-26(35)21-7-5-17(12-31-21)32-27(36)22(8-9-37-2)33-14-24(38-3)20(11-25(33)34)19-10-16(28)4-6-18(19)23-13-30-15-39-23/h4-7,10-15,22H,8-9H2,1-3H3,(H,29,35)(H,32,36)
• InChIKey: BVTWDIIYCUBXNG-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 137.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.99
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (CID 135205982) is 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)ccc3-c3cnco3)cc2=O)cn1.

What is the InChIKey of 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?

The InChIKey is BVTWDIIYCUBXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O6/c1-29-26(35)21-7-5-17(12-31-21)32-27(36)22(8-9-37-2)33-14-24(38-3)20(11-25(33)34)19-10-16(28)4-6-18(19)23-13-30-15-39-23/h4-7,10-15,22H,8-9H2,1-3H3,(H,29,35)(H,32,36).

What are the key properties of 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?

5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 551.99 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135205982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).