N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide

C26H29ClN4O3 — CID 55815935

About N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 55815935) has the molecular formula C26H29ClN4O3 and a molecular weight of 481.00 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide
• PubChem CID: 55815935
• Molecular Formula: C26H29ClN4O3
• Molecular Weight: 481.00 g/mol
• Exact Mass: 480.19
• IUPAC Name: N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide
• SMILES: COc1ccc2cc(CN(C)C(=O)CN3CCCC(C(=O)Nc4ccc(Cl)cn4)C3)ccc2c1
• InChI: InChI=1S/C26H29ClN4O3/c1-30(15-18-5-6-20-13-23(34-2)9-7-19(20)12-18)25(32)17-31-11-3-4-21(16-31)26(33)29-24-10-8-22(27)14-28-24/h5-10,12-14,21H,3-4,11,15-17H2,1-2H3,(H,28,29,33)
• InChIKey: HKFWCKSQUUPYLB-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.00
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide (CID 55815935) is N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide is COc1ccc2cc(CN(C)C(=O)CN3CCCC(C(=O)Nc4ccc(Cl)cn4)C3)ccc2c1.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide?

The InChIKey is HKFWCKSQUUPYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O3/c1-30(15-18-5-6-20-13-23(34-2)9-7-19(20)12-18)25(32)17-31-11-3-4-21(16-31)26(33)29-24-10-8-22(27)14-28-24/h5-10,12-14,21H,3-4,11,15-17H2,1-2H3,(H,28,29,33).

What are the key properties of N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide?

N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 481.00 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 55815935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).