N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide

C23H29N3O3 — CID 172666747

About N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide

N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172666747) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 172666747
• Molecular Formula: C23H29N3O3
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.22
• IUPAC Name: N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
• SMILES: Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)Nc1cc2c(cc1O)CCCC2
• InChI: InChI=1S/C23H29N3O3/c1-15-8-10-26(14-16-5-4-9-24-13-16)23(29)21(15)22(28)25-19-11-17-6-2-3-7-18(17)12-20(19)27/h8,10-12,16,24,27H,2-7,9,13-14H2,1H3,(H,25,28)
• InChIKey: GRIRNJNMKNHJCI-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 83.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?

The IUPAC name of N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide (CID 172666747) is N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?

The canonical SMILES for N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)Nc1cc2c(cc1O)CCCC2.

What is the InChIKey of N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?

The InChIKey is GRIRNJNMKNHJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15-8-10-26(14-16-5-4-9-24-13-16)23(29)21(15)22(28)25-19-11-17-6-2-3-7-18(17)12-20(19)27/h8,10-12,16,24,27H,2-7,9,13-14H2,1H3,(H,25,28).

What are the key properties of N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide?

N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172666747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).