2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide

C28H29N5O2 — CID 70030700

IUPAC2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide
SMILESO=C(CCc1c[nH]c2ccccc12)NC(=O)c1cccnc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H29N5O2/c34-26(13-12-22-19-30-25-11-5-4-9-23(22)25)31-28(35)24-10-6-14-29-27(24)33-17-15-32(16-18-33)20-21-7-2-1-3-8-21/h1-11,14,19,30H,12-13,15-18,20H2,(H,31,34,35)
InChIKeyOXKNZHUTALIQGL-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.77
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide

2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide (PubChem CID 70030700) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide
PubChem CID70030700
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide
SMILESO=C(CCc1c[nH]c2ccccc12)NC(=O)c1cccnc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H29N5O2/c34-26(13-12-22-19-30-25-11-5-4-9-23(22)25)31-28(35)24-10-6-14-29-27(24)33-17-15-32(16-18-33)20-21-7-2-1-3-8-21/h1-11,14,19,30H,12-13,15-18,20H2,(H,31,34,35)
InChIKeyOXKNZHUTALIQGL-UHFFFAOYSA-N
XLogP3.77
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylpiperazin-1-yl)-N-(3-phenylpropanoyl)pyridine-3-carboxamide
CID 70031677
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 84576774
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 39985541
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718
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-(1H-indol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595951
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
CID 35053989
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 16569616
4-(1H-indol-3-yl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 39173364

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide (CID 70030700) is 2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide is O=C(CCc1c[nH]c2ccccc12)NC(=O)c1cccnc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide?
The InChIKey is OXKNZHUTALIQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c34-26(13-12-22-19-30-25-11-5-4-9-23(22)25)31-28(35)24-10-6-14-29-27(24)33-17-15-32(16-18-33)20-21-7-2-1-3-8-21/h1-11,14,19,30H,12-13,15-18,20H2,(H,31,34,35).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide?
2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[3-(1H-indol-3-yl)propanoyl]pyridine-3-carboxamide is sourced from PubChem (CID 70030700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).