N-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide

C26H21N5O2S — CID 121272677

IUPACN-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide
SMILESO=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ccc(C(=O)Nc2ccncc2)cn1
InChIInChI=1S/C26H21N5O2S/c32-25(17-31-22-5-2-1-4-18(22)14-23(31)24-6-3-13-34-24)29-16-21-8-7-19(15-28-21)26(33)30-20-9-11-27-12-10-20/h1-15H,16-17H2,(H,29,32)(H,27,30,33)
InChIKeyFVFZISSENBCEBD-UHFFFAOYSA-N
MW467.55 g/mol
LogP4.73
Rot. Bonds7

About N-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide

N-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide (PubChem CID 121272677) has the molecular formula C26H21N5O2S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide
PubChem CID121272677
Molecular FormulaC26H21N5O2S
Molecular Weight467.55 g/mol
Exact Mass467.14
IUPAC NameN-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide
SMILESO=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ccc(C(=O)Nc2ccncc2)cn1
InChIInChI=1S/C26H21N5O2S/c32-25(17-31-22-5-2-1-4-18(22)14-23(31)24-6-3-13-34-24)29-16-21-8-7-19(15-28-21)26(33)30-20-9-11-27-12-10-20/h1-15H,16-17H2,(H,29,32)(H,27,30,33)
InChIKeyFVFZISSENBCEBD-UHFFFAOYSA-N
XLogP4.73
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 121272818
N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 121272710
N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 20907278
N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 20907262
2-(2-methylindol-1-yl)-N-pyridin-4-ylacetamide
CID 27700402
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 98429828
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 16672682
2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide
CID 53032532
N-(1-pyridin-4-ylethyl)-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 46962969
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide
CID 86860184
N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 16676126
1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone
CID 53032510

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide?
The IUPAC name of N-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide (CID 121272677) is N-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide is O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1ccc(C(=O)Nc2ccncc2)cn1.
What is the InChIKey of N-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide?
The InChIKey is FVFZISSENBCEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2S/c32-25(17-31-22-5-2-1-4-18(22)14-23(31)24-6-3-13-34-24)29-16-21-8-7-19(15-28-21)26(33)30-20-9-11-27-12-10-20/h1-15H,16-17H2,(H,29,32)(H,27,30,33).
What are the key properties of N-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide?
N-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-6-[[[2-(2-thiophen-2-ylindol-1-yl)acetyl]amino]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 121272677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).