N-[2-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-2-oxoethyl]pyridine-3-carboxamide;molecular hydrogen

C28H24Cl2N6O4 — CID 158796410

About N-[2-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-2-oxoethyl]pyridine-3-carboxamide;molecular hydrogen

N-[2-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-2-oxoethyl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 158796410) has the molecular formula C28H24Cl2N6O4 and a molecular weight of 579.44 g/mol. Its IUPAC name is N-[2-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-2-oxoethyl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[2-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-2-oxoethyl]pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 158796410
• Molecular Formula: C28H24Cl2N6O4
• Molecular Weight: 579.44 g/mol
• Exact Mass: 578.12
• IUPAC Name: N-[2-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-2-oxoethyl]pyridine-3-carboxamide;molecular hydrogen
• SMILES: CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(C(=O)CNC(=O)c1cccnc1)C[C@H]2c1ccc(C#N)cc1.[H][H]
• InChI: InChI=1S/C28H22Cl2N6O4.H2/c1-34-27(40)36(22-10-20(29)9-21(30)11-22)26(39)28(34)16-35(15-23(28)18-6-4-17(12-31)5-7-18)24(37)14-33-25(38)19-3-2-8-32-13-19;/h2-11,13,23H,14-16H2,1H3,(H,33,38);1H/t23-,28+;/m0./s1
• InChIKey: ISXKPWKUKRPIKD-QEWYMDETSA-N
• XLogP: 3.70
• TPSA: 126.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.44
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-2-oxoethyl]pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of N-[2-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-2-oxoethyl]pyridine-3-carboxamide;molecular hydrogen (CID 158796410) is N-[2-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-2-oxoethyl]pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[2-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-2-oxoethyl]pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for N-[2-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-2-oxoethyl]pyridine-3-carboxamide;molecular hydrogen is CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(C(=O)CNC(=O)c1cccnc1)C[C@H]2c1ccc(C#N)cc1.[H][H].

What is the InChIKey of N-[2-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-2-oxoethyl]pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is ISXKPWKUKRPIKD-QEWYMDETSA-N. The full InChI is InChI=1S/C28H22Cl2N6O4.H2/c1-34-27(40)36(22-10-20(29)9-21(30)11-22)26(39)28(34)16-35(15-23(28)18-6-4-17(12-31)5-7-18)24(37)14-33-25(38)19-3-2-8-32-13-19;/h2-11,13,23H,14-16H2,1H3,(H,33,38);1H/t23-,28+;/m0./s1.

What are the key properties of N-[2-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-2-oxoethyl]pyridine-3-carboxamide;molecular hydrogen?

N-[2-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-2-oxoethyl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 579.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]-2-oxoethyl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158796410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).