6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide

C29H29N9O5S — CID 176666598

About 6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide

6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide (PubChem CID 176666598) has the molecular formula C29H29N9O5S and a molecular weight of 615.68 g/mol. Its IUPAC name is 6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
• PubChem CID: 176666598
• Molecular Formula: C29H29N9O5S
• Molecular Weight: 615.68 g/mol
• Exact Mass: 615.20
• IUPAC Name: 6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
• SMILES: Cc1ncc(C(=O)NCc2cc3nc(-c4ccnc(N5CCC6(NC(=O)NC6=O)[C@H](C)C5)n4)ccc3cn2)cc1S(C)(=O)=O
• InChI: InChI=1S/C29H29N9O5S/c1-16-15-38(9-7-29(16)26(40)36-28(41)37-29)27-30-8-6-22(35-27)21-5-4-18-12-32-20(11-23(18)34-21)14-33-25(39)19-10-24(44(3,42)43)17(2)31-13-19/h4-6,8,10-13,16H,7,9,14-15H2,1-3H3,(H,33,39)(H2,36,37,40,41)/t16-,29?/m1/s1
• InChIKey: BZDHOIVCSCYUTK-VSMAWVSWSA-N
• XLogP: 1.55
• TPSA: 189.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.68
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?

The IUPAC name of 6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide (CID 176666598) is 6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide.

What is the SMILES notation for 6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?

The canonical SMILES for 6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide is Cc1ncc(C(=O)NCc2cc3nc(-c4ccnc(N5CCC6(NC(=O)NC6=O)[C@H](C)C5)n4)ccc3cn2)cc1S(C)(=O)=O.

What is the InChIKey of 6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?

The InChIKey is BZDHOIVCSCYUTK-VSMAWVSWSA-N. The full InChI is InChI=1S/C29H29N9O5S/c1-16-15-38(9-7-29(16)26(40)36-28(41)37-29)27-30-8-6-22(35-27)21-5-4-18-12-32-20(11-23(18)34-21)14-33-25(39)19-10-24(44(3,42)43)17(2)31-13-19/h4-6,8,10-13,16H,7,9,14-15H2,1-3H3,(H,33,39)(H2,36,37,40,41)/t16-,29?/m1/s1.

What are the key properties of 6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide?

6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide has a molecular weight of 615.68 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 176666598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).