5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide

C20H26ClN3O2 — CID 155493873

About 5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide

5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide (PubChem CID 155493873) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
• PubChem CID: 155493873
• Molecular Formula: C20H26ClN3O2
• Molecular Weight: 375.90 g/mol
• Exact Mass: 375.17
• IUPAC Name: 5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
• SMILES: O=C(NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3)c1cncc(Cl)c1
• InChI: InChI=1S/C20H26ClN3O2/c21-14-7-13(8-22-9-14)19(25)23-10-16-17-11-24(15-3-1-2-4-15)12-20(17)6-5-18(16)26-20/h7-9,15-18H,1-6,10-12H2,(H,23,25)/t16-,17+,18+,20+/m0/s1
• InChIKey: PRDBLUCFZWAMJR-JRBPQWBISA-N
• XLogP: 2.89
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.90
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide (CID 155493873) is 5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide is O=C(NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3)c1cncc(Cl)c1.

What is the InChIKey of 5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide?

The InChIKey is PRDBLUCFZWAMJR-JRBPQWBISA-N. The full InChI is InChI=1S/C20H26ClN3O2/c21-14-7-13(8-22-9-14)19(25)23-10-16-17-11-24(15-3-1-2-4-15)12-20(17)6-5-18(16)26-20/h7-9,15-18H,1-6,10-12H2,(H,23,25)/t16-,17+,18+,20+/m0/s1.

What are the key properties of 5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide?

5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide has a molecular weight of 375.90 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155493873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).