N-[(6-amino-5-methoxy-3-pyridinyl)methyl]-N-[(1S)-1-cyclopropylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C25H29N5O4 — CID 118957324

About N-[(6-amino-5-methoxy-3-pyridinyl)methyl]-N-[(1S)-1-cyclopropylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-[(6-amino-5-methoxy-3-pyridinyl)methyl]-N-[(1S)-1-cyclopropylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 118957324) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[(6-amino-5-methoxy-3-pyridinyl)methyl]-N-[(1S)-1-cyclopropylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-[(6-amino-5-methoxy-3-pyridinyl)methyl]-N-[(1S)-1-cyclopropylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 118957324
• Molecular Formula: C25H29N5O4
• Molecular Weight: 463.54 g/mol
• Exact Mass: 463.22
• IUPAC Name: N-[(6-amino-5-methoxy-3-pyridinyl)methyl]-N-[(1S)-1-cyclopropylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• SMILES: COc1cc(CN(C(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)[C@@H](C)C2CC2)cnc1N
• InChI: InChI=1S/C25H29N5O4/c1-15(17-7-8-17)29(13-16-11-20(34-2)22(26)27-12-16)21(31)14-30-23(32)25(28-24(30)33)10-9-18-5-3-4-6-19(18)25/h3-6,11-12,15,17H,7-10,13-14H2,1-2H3,(H2,26,27)(H,28,33)/t15-,25?/m0/s1
• InChIKey: KAXBJRIANSYJQA-JMTKMGNOSA-N
• XLogP: 2.19
• TPSA: 117.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.54
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
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-[(6-amino-5-methoxy-3-pyridinyl)methyl]-N-[(1S)-1-cyclopropylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-[(6-amino-5-methoxy-3-pyridinyl)methyl]-N-[(1S)-1-cyclopropylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 118957324) is N-[(6-amino-5-methoxy-3-pyridinyl)methyl]-N-[(1S)-1-cyclopropylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

What is the SMILES notation for N-[(6-amino-5-methoxy-3-pyridinyl)methyl]-N-[(1S)-1-cyclopropylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The canonical SMILES for N-[(6-amino-5-methoxy-3-pyridinyl)methyl]-N-[(1S)-1-cyclopropylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is COc1cc(CN(C(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)[C@@H](C)C2CC2)cnc1N.

What is the InChIKey of N-[(6-amino-5-methoxy-3-pyridinyl)methyl]-N-[(1S)-1-cyclopropylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The InChIKey is KAXBJRIANSYJQA-JMTKMGNOSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-15(17-7-8-17)29(13-16-11-20(34-2)22(26)27-12-16)21(31)14-30-23(32)25(28-24(30)33)10-9-18-5-3-4-6-19(18)25/h3-6,11-12,15,17H,7-10,13-14H2,1-2H3,(H2,26,27)(H,28,33)/t15-,25?/m0/s1.

What are the key properties of N-[(6-amino-5-methoxy-3-pyridinyl)methyl]-N-[(1S)-1-cyclopropylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

N-[(6-amino-5-methoxy-3-pyridinyl)methyl]-N-[(1S)-1-cyclopropylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 463.54 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-5-methoxy-3-pyridinyl)methyl]-N-[(1S)-1-cyclopropylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 118957324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).