4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide

C20H22ClN3O2 — CID 9396568

About 4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide

4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide (PubChem CID 9396568) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide
• PubChem CID: 9396568
• Molecular Formula: C20H22ClN3O2
• Molecular Weight: 371.87 g/mol
• Exact Mass: 371.14
• IUPAC Name: 4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide
• SMILES: C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccn1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C20H22ClN3O2/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)24-19(25)12-23-20(26)18-11-17(21)8-9-22-18/h6-11,13H,2-5,12H2,1H3,(H,23,26)(H,24,25)/t13-/m0/s1
• InChIKey: RTBIJRZLGRSAQO-ZDUSSCGKSA-N
• XLogP: 3.22
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.87
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide?

The IUPAC name of 4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide (CID 9396568) is 4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide?

The canonical SMILES for 4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide is C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccn1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide?

The InChIKey is RTBIJRZLGRSAQO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-13(15-7-6-14-4-2-3-5-16(14)10-15)24-19(25)12-23-20(26)18-11-17(21)8-9-22-18/h6-11,13H,2-5,12H2,1H3,(H,23,26)(H,24,25)/t13-/m0/s1.

What are the key properties of 4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide?

4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9396568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).