N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide

C28H35N3O4 — CID 42867171

About N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide (PubChem CID 42867171) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 42867171
• Molecular Formula: C28H35N3O4
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.26
• IUPAC Name: N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
• SMILES: COc1ccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)NC3CC4CCC3C4)CC2)cc1OC
• InChI: InChI=1S/C28H35N3O4/c1-17-4-8-22(27(32)30-23-15-18-5-6-20(23)14-18)26(29-17)19-10-12-31(13-11-19)28(33)21-7-9-24(34-2)25(16-21)35-3/h4,7-9,16,18-20,23H,5-6,10-15H2,1-3H3,(H,30,32)
• InChIKey: NORZNGDCAHQTIR-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?

The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide (CID 42867171) is N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide is COc1ccc(C(=O)N2CCC(c3nc(C)ccc3C(=O)NC3CC4CCC3C4)CC2)cc1OC.

What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?

The InChIKey is NORZNGDCAHQTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-17-4-8-22(27(32)30-23-15-18-5-6-20(23)14-18)26(29-17)19-10-12-31(13-11-19)28(33)21-7-9-24(34-2)25(16-21)35-3/h4,7-9,16,18-20,23H,5-6,10-15H2,1-3H3,(H,30,32).

What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?

N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bicyclo[2.2.1]heptanyl)-2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 42867171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).