N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide

C23H27ClN4O2 — CID 55994770

About N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 55994770) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide
• PubChem CID: 55994770
• Molecular Formula: C23H27ClN4O2
• Molecular Weight: 426.95 g/mol
• Exact Mass: 426.18
• IUPAC Name: N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide
• SMILES: CC1CCc2ccccc2N1C(=O)CN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
• InChI: InChI=1S/C23H27ClN4O2/c1-16-8-9-17-5-2-3-7-20(17)28(16)22(29)15-27-12-4-6-18(14-27)23(30)26-21-11-10-19(24)13-25-21/h2-3,5,7,10-11,13,16,18H,4,6,8-9,12,14-15H2,1H3,(H,25,26,30)
• InChIKey: IGDVIWFXXLGJJR-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.95
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide (CID 55994770) is N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide is CC1CCc2ccccc2N1C(=O)CN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide?

The InChIKey is IGDVIWFXXLGJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-16-8-9-17-5-2-3-7-20(17)28(16)22(29)15-27-12-4-6-18(14-27)23(30)26-21-11-10-19(24)13-25-21/h2-3,5,7,10-11,13,16,18H,4,6,8-9,12,14-15H2,1H3,(H,25,26,30).

What are the key properties of N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide?

N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 426.95 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 55994770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).