5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide

About 5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide

5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide (PubChem CID 26317211) has the molecular formula C28H37N3O5 and a molecular weight of 495.62 g/mol. Its IUPAC name is 5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name	5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
PubChem CID	26317211
Molecular Formula	C28H37N3O5
Molecular Weight	495.62 g/mol
Exact Mass	495.27
IUPAC Name	5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
SMILES	COc1ccccc1Cn1cc(C(=O)NCCC2=CCCCC2)c(=O)c(C(=O)NCC(C)(C)CO)c1
InChI	InChI=1S/C28H37N3O5/c1-28(2,19-32)18-30-27(35)23-17-31(15-21-11-7-8-12-24(21)36-3)16-22(25(23)33)26(34)29-14-13-20-9-5-4-6-10-20/h7-9,11-12,16-17,32H,4-6,10,13-15,18-19H2,1-3H3,(H,29,34)(H,30,35)
InChIKey	KQTRQAUUZUZWPR-UHFFFAOYSA-N
XLogP	3.27
TPSA	109.66 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	11
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.62
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?

The IUPAC name of 5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide (CID 26317211) is 5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide.

What is the SMILES notation for 5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?

The canonical SMILES for 5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide is COc1ccccc1Cn1cc(C(=O)NCCC2=CCCCC2)c(=O)c(C(=O)NCC(C)(C)CO)c1.

What is the InChIKey of 5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?

The InChIKey is KQTRQAUUZUZWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5/c1-28(2,19-32)18-30-27(35)23-17-31(15-21-11-7-8-12-24(21)36-3)16-22(25(23)33)26(34)29-14-13-20-9-5-4-6-10-20/h7-9,11-12,16-17,32H,4-6,10,13-15,18-19H2,1-3H3,(H,29,34)(H,30,35).

What are the key properties of 5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide?

5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 495.62 g/mol, XLogP of 3.27, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 26317211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).