2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide

C24H21N5O2 — CID 91668553

IUPAC2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide
SMILESN#Cc1c(N)n(Cc2ccccc2)c2ccc(Oc3ccc(NC(=O)CN)cc3)cc12
InChIInChI=1S/C24H21N5O2/c25-13-21-20-12-19(31-18-8-6-17(7-9-18)28-23(30)14-26)10-11-22(20)29(24(21)27)15-16-4-2-1-3-5-16/h1-12H,14-15,26-27H2,(H,28,30)
InChIKeyRVTAACJVJXEMFR-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.83
Rot. Bonds6

About 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide

2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide (PubChem CID 91668553) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide
PubChem CID91668553
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide
SMILESN#Cc1c(N)n(Cc2ccccc2)c2ccc(Oc3ccc(NC(=O)CN)cc3)cc12
InChIInChI=1S/C24H21N5O2/c25-13-21-20-12-19(31-18-8-6-17(7-9-18)28-23(30)14-26)10-11-22(20)29(24(21)27)15-16-4-2-1-3-5-16/h1-12H,14-15,26-27H2,(H,28,30)
InChIKeyRVTAACJVJXEMFR-UHFFFAOYSA-N
XLogP3.83
TPSA119.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide?
The IUPAC name of 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide (CID 91668553) is 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide is N#Cc1c(N)n(Cc2ccccc2)c2ccc(Oc3ccc(NC(=O)CN)cc3)cc12.
What is the InChIKey of 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide?
The InChIKey is RVTAACJVJXEMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c25-13-21-20-12-19(31-18-8-6-17(7-9-18)28-23(30)14-26)10-11-22(20)29(24(21)27)15-16-4-2-1-3-5-16/h1-12H,14-15,26-27H2,(H,28,30).
What are the key properties of 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide?
2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide has a molecular weight of 411.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-amino-1-benzyl-3-cyanoindol-5-yl)oxyphenyl]acetamide is sourced from PubChem (CID 91668553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).