N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide

C27H23N5O2S — CID 121272818

IUPACN-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(CNC(=O)Cn3c(-c4cccs4)cc4ccccc43)nc2)cn1
InChIInChI=1S/C27H23N5O2S/c1-18(33)31-26-11-9-21(15-29-26)20-8-10-22(28-14-20)16-30-27(34)17-32-23-6-3-2-5-19(23)13-24(32)25-7-4-12-35-25/h2-15H,16-17H2,1H3,(H,30,34)(H,29,31,33)
InChIKeyWTALTQAJOYVKAX-UHFFFAOYSA-N
MW481.58 g/mol
LogP5.10
Rot. Bonds7

About N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide

N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide (PubChem CID 121272818) has the molecular formula C27H23N5O2S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
PubChem CID121272818
Molecular FormulaC27H23N5O2S
Molecular Weight481.58 g/mol
Exact Mass481.16
IUPAC NameN-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(CNC(=O)Cn3c(-c4cccs4)cc4ccccc43)nc2)cn1
InChIInChI=1S/C27H23N5O2S/c1-18(33)31-26-11-9-21(15-29-26)20-8-10-22(28-14-20)16-30-27(34)17-32-23-6-3-2-5-19(23)13-24(32)25-7-4-12-35-25/h2-15H,16-17H2,1H3,(H,30,34)(H,29,31,33)
InChIKeyWTALTQAJOYVKAX-UHFFFAOYSA-N
XLogP5.10
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The IUPAC name of N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide (CID 121272818) is N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide.
What is the SMILES notation for N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The canonical SMILES for N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide is CC(=O)Nc1ccc(-c2ccc(CNC(=O)Cn3c(-c4cccs4)cc4ccccc43)nc2)cn1.
What is the InChIKey of N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The InChIKey is WTALTQAJOYVKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2S/c1-18(33)31-26-11-9-21(15-29-26)20-8-10-22(28-14-20)16-30-27(34)17-32-23-6-3-2-5-19(23)13-24(32)25-7-4-12-35-25/h2-15H,16-17H2,1H3,(H,30,34)(H,29,31,33).
What are the key properties of N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide?
N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide has a molecular weight of 481.58 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide is sourced from PubChem (CID 121272818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).