5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide

C27H29N3O3 — CID 25290308

About 5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide

5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide (PubChem CID 25290308) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide
• PubChem CID: 25290308
• Molecular Formula: C27H29N3O3
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.22
• IUPAC Name: 5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide
• SMILES: CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@H]2CCCc3ccccc32)c1=O
• InChI: InChI=1S/C27H29N3O3/c1-2-28-26(32)22-17-30(16-15-19-9-4-3-5-10-19)18-23(25(22)31)27(33)29-24-14-8-12-20-11-6-7-13-21(20)24/h3-7,9-11,13,17-18,24H,2,8,12,14-16H2,1H3,(H,28,32)(H,29,33)/t24-/m0/s1
• InChIKey: CTSQGBQCNXPDSF-DEOSSOPVSA-N
• XLogP: 3.65
• TPSA: 80.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide?

The IUPAC name of 5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide (CID 25290308) is 5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide.

What is the SMILES notation for 5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide?

The canonical SMILES for 5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide is CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@H]2CCCc3ccccc32)c1=O.

What is the InChIKey of 5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide?

The InChIKey is CTSQGBQCNXPDSF-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-2-28-26(32)22-17-30(16-15-19-9-4-3-5-10-19)18-23(25(22)31)27(33)29-24-14-8-12-20-11-6-7-13-21(20)24/h3-7,9-11,13,17-18,24H,2,8,12,14-16H2,1H3,(H,28,32)(H,29,33)/t24-/m0/s1.

What are the key properties of 5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide?

5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-ethyl-4-oxo-1-(2-phenylethyl)-3-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 25290308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).