N-methyl-4-[5-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]pyridine-2-carboxamide

C28H29N3O4 — CID 166398161

About N-methyl-4-[5-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]pyridine-2-carboxamide

N-methyl-4-[5-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]pyridine-2-carboxamide (PubChem CID 166398161) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-methyl-4-[5-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-4-[5-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]pyridine-2-carboxamide
• PubChem CID: 166398161
• Molecular Formula: C28H29N3O4
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.22
• IUPAC Name: N-methyl-4-[5-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]pyridine-2-carboxamide
• SMILES: CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)ccn1
• InChI: InChI=1S/C28H29N3O4/c1-18-7-10-23(26(15-18)35-22-13-14-30-24(17-22)28(34)29-2)31-27(33)12-11-25(32)21-9-8-19-5-3-4-6-20(19)16-21/h7-10,13-17H,3-6,11-12H2,1-2H3,(H,29,34)(H,31,33)
• InChIKey: HGXJIGVLGMPHKF-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 97.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]pyridine-2-carboxamide?

The IUPAC name of N-methyl-4-[5-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]pyridine-2-carboxamide (CID 166398161) is N-methyl-4-[5-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]pyridine-2-carboxamide.

What is the SMILES notation for N-methyl-4-[5-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]pyridine-2-carboxamide?

The canonical SMILES for N-methyl-4-[5-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)ccn1.

What is the InChIKey of N-methyl-4-[5-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]pyridine-2-carboxamide?

The InChIKey is HGXJIGVLGMPHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-18-7-10-23(26(15-18)35-22-13-14-30-24(17-22)28(34)29-2)31-27(33)12-11-25(32)21-9-8-19-5-3-4-6-20(19)16-21/h7-10,13-17H,3-6,11-12H2,1-2H3,(H,29,34)(H,31,33).

What are the key properties of N-methyl-4-[5-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]pyridine-2-carboxamide?

N-methyl-4-[5-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]pyridine-2-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-[5-methyl-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 166398161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).