N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide

C29H30N6OS — CID 176665359

About N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide

N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide (PubChem CID 176665359) has the molecular formula C29H30N6OS and a molecular weight of 510.67 g/mol. Its IUPAC name is N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide.

Molecular Properties

• Compound Name: N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide
• PubChem CID: 176665359
• Molecular Formula: C29H30N6OS
• Molecular Weight: 510.67 g/mol
• Exact Mass: 510.22
• IUPAC Name: N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide
• SMILES: CSc1cc(C(=O)NCc2cc3nc(-c4cccc(N5CCNC6(CC6)C5)n4)ccc3cn2)ccc1C
• InChI: InChI=1S/C29H30N6OS/c1-19-6-7-20(14-26(19)37-2)28(36)31-17-22-15-25-21(16-30-22)8-9-24(33-25)23-4-3-5-27(34-23)35-13-12-32-29(18-35)10-11-29/h3-9,14-16,32H,10-13,17-18H2,1-2H3,(H,31,36)
• InChIKey: FQYBHUUDUIPUGG-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 83.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.67
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide?

The IUPAC name of N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide (CID 176665359) is N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide.

What is the SMILES notation for N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide?

The canonical SMILES for N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide is CSc1cc(C(=O)NCc2cc3nc(-c4cccc(N5CCNC6(CC6)C5)n4)ccc3cn2)ccc1C.

What is the InChIKey of N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide?

The InChIKey is FQYBHUUDUIPUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6OS/c1-19-6-7-20(14-26(19)37-2)28(36)31-17-22-15-25-21(16-30-22)8-9-24(33-25)23-4-3-5-27(34-23)35-13-12-32-29(18-35)10-11-29/h3-9,14-16,32H,10-13,17-18H2,1-2H3,(H,31,36).

What are the key properties of N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide?

N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide has a molecular weight of 510.67 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide is sourced from PubChem (CID 176665359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).