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

C19H17Cl2N5O2 — CID 144730887

IUPAC(4R)-5-amino-6-[amino-[(4-chlorophenyl)methyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione
SMILESNC1=C(N(N)Cc2ccc(Cl)cc2)NC(=O)C[C@]12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C19H17Cl2N5O2/c20-11-3-1-10(2-4-11)9-26(23)17-16(22)19(8-15(27)25-17)13-7-12(21)5-6-14(13)24-18(19)28/h1-7H,8-9,22-23H2,(H,24,28)(H,25,27)/t19-/m1/s1
InChIKeyKVBOREGCWQCLDM-LJQANCHMSA-N
MW418.28 g/mol
LogP2.21
Rot. Bonds3

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

(4R)-5-amino-6-[amino-[(4-chlorophenyl)methyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione (PubChem CID 144730887) has the molecular formula C19H17Cl2N5O2 and a molecular weight of 418.28 g/mol. Its IUPAC name is (4R)-5-amino-6-[amino-[(4-chlorophenyl)methyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione.

Molecular Properties

Compound Name(4R)-5-amino-6-[amino-[(4-chlorophenyl)methyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione
PubChem CID144730887
Molecular FormulaC19H17Cl2N5O2
Molecular Weight418.28 g/mol
Exact Mass417.08
IUPAC Name(4R)-5-amino-6-[amino-[(4-chlorophenyl)methyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione
SMILESNC1=C(N(N)Cc2ccc(Cl)cc2)NC(=O)C[C@]12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C19H17Cl2N5O2/c20-11-3-1-10(2-4-11)9-26(23)17-16(22)19(8-15(27)25-17)13-7-12(21)5-6-14(13)24-18(19)28/h1-7H,8-9,22-23H2,(H,24,28)(H,25,27)/t19-/m1/s1
InChIKeyKVBOREGCWQCLDM-LJQANCHMSA-N
XLogP2.21
TPSA113.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 52.21
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-[(4-chlorophenyl)methyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione?
The IUPAC name of (4R)-5-amino-6-[amino-[(4-chlorophenyl)methyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione (CID 144730887) is (4R)-5-amino-6-[amino-[(4-chlorophenyl)methyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione.
What is the SMILES notation for (4R)-5-amino-6-[amino-[(4-chlorophenyl)methyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione?
The canonical SMILES for (4R)-5-amino-6-[amino-[(4-chlorophenyl)methyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione is NC1=C(N(N)Cc2ccc(Cl)cc2)NC(=O)C[C@]12C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of (4R)-5-amino-6-[amino-[(4-chlorophenyl)methyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione?
The InChIKey is KVBOREGCWQCLDM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17Cl2N5O2/c20-11-3-1-10(2-4-11)9-26(23)17-16(22)19(8-15(27)25-17)13-7-12(21)5-6-14(13)24-18(19)28/h1-7H,8-9,22-23H2,(H,24,28)(H,25,27)/t19-/m1/s1.
What are the key properties of (4R)-5-amino-6-[amino-[(4-chlorophenyl)methyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione?
(4R)-5-amino-6-[amino-[(4-chlorophenyl)methyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione has a molecular weight of 418.28 g/mol, XLogP of 2.21, 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-[(4-chlorophenyl)methyl]amino]-5'-chlorospiro[1,3-dihydropyridine-4,3'-1H-indole]-2,2'-dione is sourced from PubChem (CID 144730887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).