N-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide

C20H17N5O3 — CID 71770281

IUPACN-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]cc(-c3[nH]c4ccc(NC(C)=O)cc4c3N=O)c2c1
InChIInChI=1S/C20H17N5O3/c1-10(26)22-12-3-5-17-14(7-12)16(9-21-17)19-20(25-28)15-8-13(23-11(2)27)4-6-18(15)24-19/h3-9,21,24H,1-2H3,(H,22,26)(H,23,27)
InChIKeySNUCGUWLUWLBEO-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.63
Rot. Bonds4

About N-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide

N-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide (PubChem CID 71770281) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide
PubChem CID71770281
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]cc(-c3[nH]c4ccc(NC(C)=O)cc4c3N=O)c2c1
InChIInChI=1S/C20H17N5O3/c1-10(26)22-12-3-5-17-14(7-12)16(9-21-17)19-20(25-28)15-8-13(23-11(2)27)4-6-18(15)24-19/h3-9,21,24H,1-2H3,(H,22,26)(H,23,27)
InChIKeySNUCGUWLUWLBEO-UHFFFAOYSA-N
XLogP4.63
TPSA119.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide?
The IUPAC name of N-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide (CID 71770281) is N-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide.
What is the SMILES notation for N-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide?
The canonical SMILES for N-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide is CC(=O)Nc1ccc2[nH]cc(-c3[nH]c4ccc(NC(C)=O)cc4c3N=O)c2c1.
What is the InChIKey of N-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide?
The InChIKey is SNUCGUWLUWLBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-10(26)22-12-3-5-17-14(7-12)16(9-21-17)19-20(25-28)15-8-13(23-11(2)27)4-6-18(15)24-19/h3-9,21,24H,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide?
N-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide has a molecular weight of 375.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-acetamido-3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]acetamide is sourced from PubChem (CID 71770281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).