1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine

C31H37ClN6O2 — CID 168918639

About 1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine

1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine (PubChem CID 168918639) has the molecular formula C31H37ClN6O2 and a molecular weight of 561.13 g/mol. Its IUPAC name is 1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine.

Molecular Properties

• Compound Name: 1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine
• PubChem CID: 168918639
• Molecular Formula: C31H37ClN6O2
• Molecular Weight: 561.13 g/mol
• Exact Mass: 560.27
• IUPAC Name: 1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine
• SMILES: CN1CCCC1.COc1nc(N2CCC(C(N)=O)CC2)c2c(c1C#N)CN(c1cccc3cccc(Cl)c13)CC2
• InChI: InChI=1S/C26H26ClN5O2.C5H11N/c1-34-26-19(14-28)20-15-32(22-7-3-5-16-4-2-6-21(27)23(16)22)13-10-18(20)25(30-26)31-11-8-17(9-12-31)24(29)33;1-6-4-2-3-5-6/h2-7,17H,8-13,15H2,1H3,(H2,29,33);2-5H2,1H3
• InChIKey: RGRCFOOLIVSDJJ-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 98.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.13
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine?

The IUPAC name of 1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine (CID 168918639) is 1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine.

What is the SMILES notation for 1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine?

The canonical SMILES for 1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine is CN1CCCC1.COc1nc(N2CCC(C(N)=O)CC2)c2c(c1C#N)CN(c1cccc3cccc(Cl)c13)CC2.

What is the InChIKey of 1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine?

The InChIKey is RGRCFOOLIVSDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O2.C5H11N/c1-34-26-19(14-28)20-15-32(22-7-3-5-16-4-2-6-21(27)23(16)22)13-10-18(20)25(30-26)31-11-8-17(9-12-31)24(29)33;1-6-4-2-3-5-6/h2-7,17H,8-13,15H2,1H3,(H2,29,33);2-5H2,1H3.

What are the key properties of 1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine?

1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine has a molecular weight of 561.13 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(8-chloronaphthalen-1-yl)-4-cyano-3-methoxy-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperidine-4-carboxamide;1-methylpyrrolidine is sourced from PubChem (CID 168918639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).