2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide

C21H25N5O — CID 47081718

IUPAC2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCN1CCN(c2ncccc2CNC(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H25N5O/c1-25-9-11-26(12-10-25)21-16(5-4-8-22-21)14-24-20(27)13-17-15-23-19-7-3-2-6-18(17)19/h2-8,15,23H,9-14H2,1H3,(H,24,27)
InChIKeyGTFQJLSJHZPQKB-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.17
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide

2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 47081718) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
PubChem CID47081718
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCN1CCN(c2ncccc2CNC(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H25N5O/c1-25-9-11-26(12-10-25)21-16(5-4-8-22-21)14-24-20(27)13-17-15-23-19-7-3-2-6-18(17)19/h2-8,15,23H,9-14H2,1H3,(H,24,27)
InChIKeyGTFQJLSJHZPQKB-UHFFFAOYSA-N
XLogP2.17
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

2-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 25479539
4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
CID 38541510
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 46463836
(2R)-2-amino-3-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 56746946
2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
CID 120597599
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 95215139
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 42461962
2-[(1R)-cyclopent-2-en-1-yl]-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 94816976
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide
CID 122357083
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119902772
2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56702955
1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide
CID 29029683

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide (CID 47081718) is 2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide is CN1CCN(c2ncccc2CNC(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is GTFQJLSJHZPQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25-9-11-26(12-10-25)21-16(5-4-8-22-21)14-24-20(27)13-17-15-23-19-7-3-2-6-18(17)19/h2-8,15,23H,9-14H2,1H3,(H,24,27).
What are the key properties of 2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide?
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 363.47 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 47081718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).