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

C20H19Cl2N5O2 — CID 144730888

IUPAC(4R)-5-amino-6-[amino-[1-(4-chlorophenyl)ethyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione
SMILESCC(c1ccc(Cl)cc1)N(N)C1=C(N)[C@]2(CC(=O)N1)C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C20H19Cl2N5O2/c1-10(11-2-4-12(21)5-3-11)27(24)18-17(23)20(9-16(28)26-18)14-8-13(22)6-7-15(14)25-19(20)29/h2-8,10H,9,23-24H2,1H3,(H,25,29)(H,26,28)/t10?,20-/m1/s1
InChIKeyMXDILHVMDHSQBP-AKYJZCGHSA-N
MW432.31 g/mol
LogP2.77
Rot. Bonds3

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

(4R)-5-amino-6-[amino-[1-(4-chlorophenyl)ethyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione (PubChem CID 144730888) has the molecular formula C20H19Cl2N5O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is (4R)-5-amino-6-[amino-[1-(4-chlorophenyl)ethyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione.

Molecular Properties

Compound Name(4R)-5-amino-6-[amino-[1-(4-chlorophenyl)ethyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione
PubChem CID144730888
Molecular FormulaC20H19Cl2N5O2
Molecular Weight432.31 g/mol
Exact Mass431.09
IUPAC Name(4R)-5-amino-6-[amino-[1-(4-chlorophenyl)ethyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione
SMILESCC(c1ccc(Cl)cc1)N(N)C1=C(N)[C@]2(CC(=O)N1)C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C20H19Cl2N5O2/c1-10(11-2-4-12(21)5-3-11)27(24)18-17(23)20(9-16(28)26-18)14-8-13(22)6-7-15(14)25-19(20)29/h2-8,10H,9,23-24H2,1H3,(H,25,29)(H,26,28)/t10?,20-/m1/s1
InChIKeyMXDILHVMDHSQBP-AKYJZCGHSA-N
XLogP2.77
TPSA113.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 52.77
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 (4R)-5-amino-6-[amino-[1-(4-chlorophenyl)ethyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione?
The IUPAC name of (4R)-5-amino-6-[amino-[1-(4-chlorophenyl)ethyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione (CID 144730888) is (4R)-5-amino-6-[amino-[1-(4-chlorophenyl)ethyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione.
What is the SMILES notation for (4R)-5-amino-6-[amino-[1-(4-chlorophenyl)ethyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione?
The canonical SMILES for (4R)-5-amino-6-[amino-[1-(4-chlorophenyl)ethyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione is CC(c1ccc(Cl)cc1)N(N)C1=C(N)[C@]2(CC(=O)N1)C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of (4R)-5-amino-6-[amino-[1-(4-chlorophenyl)ethyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione?
The InChIKey is MXDILHVMDHSQBP-AKYJZCGHSA-N. The full InChI is InChI=1S/C20H19Cl2N5O2/c1-10(11-2-4-12(21)5-3-11)27(24)18-17(23)20(9-16(28)26-18)14-8-13(22)6-7-15(14)25-19(20)29/h2-8,10H,9,23-24H2,1H3,(H,25,29)(H,26,28)/t10?,20-/m1/s1.
What are the key properties of (4R)-5-amino-6-[amino-[1-(4-chlorophenyl)ethyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione?
(4R)-5-amino-6-[amino-[1-(4-chlorophenyl)ethyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione has a molecular weight of 432.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-amino-6-[amino-[1-(4-chlorophenyl)ethyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione is sourced from PubChem (CID 144730888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).