5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione

C21H21Cl2N5O2 — CID 144730858

IUPAC5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione
SMILESCCC(c1ccc(Cl)cc1)N(N)C1=C(N)C2(CC(=O)N1)C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C21H21Cl2N5O2/c1-2-16(11-3-5-12(22)6-4-11)28(25)19-18(24)21(10-17(29)27-19)14-9-13(23)7-8-15(14)26-20(21)30/h3-9,16H,2,10,24-25H2,1H3,(H,26,30)(H,27,29)
InChIKeyNPWORMJDDLHKFT-UHFFFAOYSA-N
MW446.34 g/mol
LogP3.16
Rot. Bonds4

About 5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione

5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione (PubChem CID 144730858) has the molecular formula C21H21Cl2N5O2 and a molecular weight of 446.34 g/mol. Its IUPAC name is 5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione.

Molecular Properties

Compound Name5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione
PubChem CID144730858
Molecular FormulaC21H21Cl2N5O2
Molecular Weight446.34 g/mol
Exact Mass445.11
IUPAC Name5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione
SMILESCCC(c1ccc(Cl)cc1)N(N)C1=C(N)C2(CC(=O)N1)C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C21H21Cl2N5O2/c1-2-16(11-3-5-12(22)6-4-11)28(25)19-18(24)21(10-17(29)27-19)14-9-13(23)7-8-15(14)26-20(21)30/h3-9,16H,2,10,24-25H2,1H3,(H,26,30)(H,27,29)
InChIKeyNPWORMJDDLHKFT-UHFFFAOYSA-N
XLogP3.16
TPSA113.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.34
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione?
The IUPAC name of 5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione (CID 144730858) is 5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione.
What is the SMILES notation for 5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione?
The canonical SMILES for 5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione is CCC(c1ccc(Cl)cc1)N(N)C1=C(N)C2(CC(=O)N1)C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of 5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione?
The InChIKey is NPWORMJDDLHKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O2/c1-2-16(11-3-5-12(22)6-4-11)28(25)19-18(24)21(10-17(29)27-19)14-9-13(23)7-8-15(14)26-20(21)30/h3-9,16H,2,10,24-25H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione?
5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione has a molecular weight of 446.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[amino-[1-(4-chlorophenyl)propyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione is sourced from PubChem (CID 144730858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).